Allyl acetate
-
Allyl acetate
structure -
-
CAS No:
591-87-7
-
Formula:
C5H8O2
-
Chemical Name:
Allyl acetate
-
Synonyms:
Acetic acid,2-propen-1-yl ester;Acetic acid,allyl ester;Acetic acid,2-propenyl ester;Allyl alcohol,acetate;Allyl acetate;3-Acetoxypropene;3-Acetoxy-1-propene;2-Propen-1-ol acetate;NSC 7612
- Categories:
-
CAS No:
Description
Allyl acetate is a flammable, colorless liquid with an acrid odor.
Allyl acetate is an organic compound with formula C3H5OC(O)CH3. This colourless liquid is a precursor to especially allyl alcohol, which is a useful industrial intermediate. It is the acetate ester of allyl alcohol.
Allyl acetate appears as a liquid. Insoluble in water and slightly less dense than water. Hence floats on water. Poisonous by ingestion and moderately toxic by inhalation and skin contact. Irritating to skin and eyes.
Allyl acetate appears as a liquid. Insoluble in water and slightly less dense than water. Hence floats on water. Poisonous by ingestion and moderately toxic by inhalation and skin contact. Irritating to skin and eyes.
Allyl acetate Basic Attributes
100.11582
100.12
209-734-8
E4U5E5990I
7612
2333
DTXSID9024437
COLORLESS LIQUID
29153990
Characteristics
26.30000
0.99
Allyl acetate appears as a liquid. Insoluble in water and slightly less dense than water. Hence floats on water. Poisonous by ingestion and moderately toxic by inhalation and skin contact. Irritating to skin and eyes.
0.9275 g/cm3 @ Temp: 20 °C
6°C
103.5 °C
6.7±0.0 °C
1.402
H2O: Slight soluble
STORAGE TANKS OUTSIDE BUILDING SHOULD BE BUNDED /SRP: DIKED/ TO PREVENT SPREAD OF ACCIDENTALLY ESCAPING LIQUID, & A RAMPED SILL SHOULD BE CONSTRUCTED AT DOORWAYS OF STOREROOMS TO RETAIN FLAMMABLE LIQUID THAT MAY ESCAPE FROM STORAGE VESSELS INSIDE. /ALLYL ALCOHOL/
27.2 hPa (20 °C)
3.45 (AIR= 1)
LD50: 0.13 g/kg orally in rats; 1.1 ml/kg dermally in rabbits (Smyth); LD50 in rats, mice (mg/kg): 142, 170 orally (Jenner)
ACRID AT HIGH LEVELS
SOUR, CARAMELLIC, WITH SWEET AFTERTASTE, ACRID AT HIGH LEVELS
2.71e-11 cm3/molecule*sec
CONVERSION FACTORS: 1 MG/L IS EQUIVALENT TO 245 PPM|CONVERSION FACTORS (WT/VOL): 4.14 MG/CU M IS EQUIVALENT TO 1 PPM
Highly flammable. Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Highly Flammable
ALLYL ACETATE is an ester. Reacts with acids to liberate heat along with alcohols and acids. Generates heat with strong oxidizing acids. The reaction may be sufficiently exothermic to ignite the reaction products. Also generates heat with basic solutions. Generates flammable hydrogen with alkali metals and hydrides. Emits acrid smoke and irritating fumes when heated to decomposition.
Safety Information
II
3
UN 2333 3/PG 2
3
R11;R21;R25
S16-S26-S36-S45-S27
AF1750000
F:Flammable;T:Toxic;
Stable under normal temperatures and pressures.
P210-P260-P280-P284-P301 + P310-P305 + P351 + P338
H225-H301-H312-H319-H330
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Cometto-Muniz JE, Cain Ws; Pharmacol Biochem Behav 39 (4): 983-990. Nasal pungency, odor, and eye irritation thresholds for homologous acetates.
UN 2333
P210; P260; P280; P284; P301 + P310; P305 + P351 + P338
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Flammable - 3rd degree
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P361, P363, P405, and P501|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P314, P320, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: Fully encapsulating, vapor-protective clothing should be worn for spills and leaks with no fire. ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)|WORKERS WHO...HANDLE ALLYL ALCOHOL, OR WHO MAY BE LIABLE TO...EXPOSURE...SHOULD WEAR...PROTECTIVE EQUIPMENT APPROPRIATE TO EXTENT OF... EXPOSURE. ...EYE PROTECTION SHOULD BE PROVIDED /WHEN NECESSARY/. /ALLYL ALCOHOL/
...EVOLVE FLAMMABLE...VAPORS.|Dangerous fire hazard.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.|...VAPOR SHOULD BE PREVENTED FROM ESCAPING...INTO WORKROOM BY...EXHAUST VENTILATION. WHEN PROCESSES CANNOT BE ENCLOSED, EXHAUST...HOODS SHOULD BE FITTED TO TRAP & EXTRACT ESCAPING VAPOR BEFORE IT CAN DIFFUSE INTO WORKROOM ATMOSPHERE. /ALLYL ALCOHOL/|PRECAUTIONS MUST BE ADOPTED...TO EXCLUDE OPEN LIGHTS OR ANY AGENCIES CAPABLE OF IGNITING VAPOR WHEN LIQUID IS BEING HANDLED IN A WARM WORKROOM. /ALLYL ALCOHOL/|TO PREVENT THE LIQUID OR VAPOR FROM COMING INTO CONTACT WITH THE WORKERS, PROCESSES IN WHICH ALLYL ALCOHOL IS PRESENT SHOULD...BE CONDUCTED IN ENCLOSED PLANT. /ALLYL ALCOHOL/|For more Preventive Measures (Complete) data for ACETIC ACID, ALLYL ESTER (6 total), please visit the HSDB record page.
/GUIDE 131: FLAMMABLE LIQUIDS - TOXIC/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 131: FLAMMABLE LIQUIDS - TOXIC/ Health: TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 131: FLAMMABLE LIQUIDS - TOXIC/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 131: FLAMMABLE LIQUIDS - TOXIC/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.|For more DOT Emergency Guidelines (Complete) data for ACETIC ACID, ALLYL ESTER (8 total), please visit the HSDB record page.
No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
ALLYL ACETATE...IS HIGHLY IRRITANT & TOXIC BY INHALATION, INGESTION, EYE, & DERMAL CONTACT.
SOURCE DOMINATED: Allyl acetate was identified in ambient air samples collected near the Kin-Buc chemical waste disposal site in Edison, NJ in 1976 at an estimated concentration of 31 ug/cu m(1).
Toxicity
125 MG/KG TRIORTHOTOLYL PHOSPHATE PRETREATMENT SIGNIFICANTLY INHIBITED RISE IN PLASMA ALANINE-ALPHA-KETOGLUTARATE TRANSAMINASE ACTIVITY & PREVENTED CHANGES IN LIVER MORPHOLOGY PRODUCED BY 60-150 MG/KG ALLYL ACETATE ADMIN ORALLY TO RATS 18 HR AFTER PRETREATMENT.|O.5 TO 10 MG/KG PRETREATMENT WITH THE DEFOLIANT, S,S,S-TRIBUTYLPHOSPHOROTRITHIOATE (DEF) PROTECTED AGAINST HEPATOTOXICITY OF 60 MG/KG ALLYL ACETATE ADMIN ORALLY TO RATS 18 HR LATER.|PRETREATMENT OF RATS WITH 375 MG/KG PYRAZOLE, AN INHIBITOR OF ALCOHOL DEHYDROGENASE, COMPLETELY PREVENTED THE ELEVATION OF PLASMA ALANINE-ALPHA-KETOGLUTARATE TRANSAMINASE (AKT) ACTIVITY AFTER 90 MG/KG ALLYL ACETATE ADMIN.
LD50 Rat oral 0.142 g/kg
Allyl acetate's use in the production of allyl alcohol(1) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a log Kow of 0.97(2) and a regression-derived equation(3), indicates that allyl acetate is expected to have high mobility in soil(SRC). Volatilization of allyl acetate from moist soil surfaces may be important(SRC) given an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 27.2 mm Hg(4), and water solubility, 2.8X10+4 mg/l(5). The potential for volatilization of allyl acetate from dry soil surfaces may exist(SRC) based on this compound's vapor pressure(4). In general, acetates are expected to be readily biodegradable(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a log Kow of 0.97(2) and a regression-derived equation(3), indicates that allyl acetate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based on an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 27.2 mm Hg(4), and water solubility, 2.8X10+4 mg/l(5). Estimated volatilization half-lives for a model river and model lake are 9.8 hours and 6.0 days, respectively(3). According to a classification scheme(5), an estimated BCF of 3.2(3,SRC), from a log Kow(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Estimated hydrolysis half-lives of 1.1 years and 41 days at pH values of 7 and 8, respectively(7), indicate hydrolysis is expected to be a slow process(SRC). In general, acetates are expected to be readily biodegradable(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), allyl acetate, which has a vapor pressure of 27.2 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase allyl acetate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 14 hours(SRC) from the estimated rate constant(3).
The rate constant for the vapor-phase reaction of allyl acetate with photochemically-produced hydroxyl radicals has been estimated as 2.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 14 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). An average alkaline second-order hydrolysis rate constant of 0.194 L/mol-sec was determined for allyl acetate at 30 °C(2); this rate constant corresponds to half-lives of 1.1 years and 41 days at pH values of 7 and 8, respectively(SRC).
An estimated BCF of 3.2 was calculated for allyl acetate(SRC), using a log Kow of 0.97(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.
The Koc of allyl acetate is estimated as approximately 80(SRC), using a log Kow of 0.97(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that allyl acetate is expected to have high mobility in soil.
The Henry's Law constant for allyl acetate is estimated as 1.3X10-4 atm-cu m/mole at 20 °C(SRC) from its vapor pressure, 27.2 mm Hg(1), and water solubility, 2.8X10+4 mg/l(2). This Henry's Law constant indicates that allyl acetate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is approximately 9.8 hours(SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is approximately 6.0 days(SRC). Allyl acetate's Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of allyl acetate from dry soil surfaces may exist(SRC) based on a vapor pressure of 27.2 mm Hg(1).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 4,280 workers (1,700 of these are female) are potentially exposed to allyl acetate in the US(1). Occupational exposure to allyl acetate may occur through inhalation and dermal contact with this compound at workplaces where allyl acetate is used(SRC).
Allyl acetate was identified in approx 40% of the expired air samples collected from an urban population of 28 normal, healthy, non-smoking human subjects(1). It was detected in 36.9% of 387 expired air samples collected from 54 normal, healthy, non-smoking human subjects at a geometric mean concentration of 0.296 ng/l(2).
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| SKIN/EYE IRRITATION DATA | Standard Draize test | Administration onto the skin | Rodent - rabbit | 500 mg/24H | -- | Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,355,1986 |
| SKIN/EYE IRRITATION DATA | Standard Draize test | Administration into the eye | Rodent - rabbit | 100 mg | -- | Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,355,1986 |
| SKIN/EYE IRRITATION DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - rat | 130 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949 |
Drug Information
IT IS...ABSORBED THROUGH INTACT SKIN.
A MERCAPTURIC ACID WAS ISOLATED FROM URINE OF RATS TREATED SC WITH ALLYL ACETATE & IDENTIFIED AS 3-HYDROXYPROPYLMERCAPTURIC ACID N-ACETYL-S-3-HYDROXYPROPYL-L-CYSTEINE.|MERCAPTURIC ACIDS WERE DETECTED IN URINE OF RATS FOLLOWING ADMIN OF VARIOUS ALLYL ESTERS WHICH COULD BE METAB BY ACYL-OXYGEN FISSION OR ALKYL-OXYGEN FISSION TO YIELD 3-HYDROXYMERCAPTURIC ACID OR ALLYLMERCAPTURIC ACID. LATTER OCCURRED ONLY WHEN THE ESTER WAS FORMED FROM A STRONG ACID.
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)
VAPOR & LIQ...IRRITATING TO SKIN & MUCOUS MEMBRANE. PRODUCES LACRIMATION & CORNEAL BURNS. LIQ MAY PRODUCE FIRST OR SECOND DEGREE BURNS WITH BLISTERING & SUPERFICIAL NECROSIS. ... INHALED VAPOR MAY LEAD TO PULMONARY EDEMA... /ALLYL ALCOHOL/|ALLYL ACETATE...IS HIGHLY IRRITANT & TOXIC BY INHALATION, INGESTION, EYE, & DERMAL CONTACT.
allyl acetate
Allyl acetate Use and Manufacturing
BY DECARBOXYLATION BY HEATING ALLYLMALONIC ACID; OR FROM THE CORRESPONDING ETHYL ESTER PREPARED BY BOILING ETHYL 4-CHLORO-N-VALERATE IN QUINOLINE.|By acetoxylation of propylene.
Ally acetate is used in nonalcoholic beverages at 1 ppm, ice cream and ices at 2 ppm, candy at 5 ppm, baked goods at 5 ppm, and margarine at 2 ppm.
Acetic acid, 2-propen-1-yl ester: ACTIVE|IT IS USED IN NON-ALCOHOLIC BEVERAGES AT 1.0 PPM; ICE CREAM, ICES AT 2.0 PPM; CANDY AT 5.0 PPM; BAKED GOODS AT 5.0 PPM; MARGARINE AT 2.0 PPM.|FEMA NUMBER 2843|ACYLOXY, SUBSTITUTED OR UNSUBSTITUTED ALKENYL ARE EFFECTIVE COCKROACH REPELLENTS.
Fire Hazards -> Flammable - 3rd degree
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Packed | SE-30 | 670. | 150. | isothermal | Celite 560 silanized; Column length: 3.7 m | Allen, I.D.Haken, J.K.Gas chromatography of homologous esters. Part IV. Influence of stationary phase polarity on retention of unsaturated estersJ. Chromatogr.1970, 51, 415-422. |
| Kovats' RI, non-polar column, isothermal | Capillary | ZB-1 | 680. | temperature ramp | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C | Herbrand K.Hammerschmidt F.J.Brennecke S.Liebig M.Losing G.Schmidt C.O.Gatfield I.Krammer G.Bertram H.J.Identification of allyl esters in garlic cheeseJ. Agric. Food Chem.2007, 55, 19, 7874-7878. | |
| Kovats' RI, non-polar column, isothermal | Capillary | SE-30 | 658. | temperature ramp | N2, 6. K/min; Column length: 25. m; Column diameter: 0.30 mm; Tstart: 50. C | Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351J. Chromatogr.1984, 288, 329-346. | |
| Kovats' RI, non-polar column, isothermal | Capillary | ZB-Wax | 1023. | temperature ramp | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C | Herbrand K.Hammerschmidt F.J.Brennecke S.Liebig M.Losing G.Schmidt C.O.Gatfield I.Krammer G.Bertram H.J.Identification of allyl esters in garlic cheeseJ. Agric. Food Chem.2007, 55, 19, 7874-7878. | |
| Kovats' RI, non-polar column, isothermal | Capillary | OV-351 | 1014. | temperature ramp | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C | Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351J. Chromatogr.1984, 288, 329-346. |
Computed Properties
Molecular Weight:100.12
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Allyl acetate
-
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Agrochemicals,Daily Chemicals,Catalysts & Chemical Auxiliary Agents,Extract,Inorganic Chemicals,Organic Intermediate,Pigment & Dyestuff,Polymer,Flavour & Fragrance,Basic Organic Chemicals,PharmaceuticalInquiryCAS No.: 591-87-7Grade: Industrial GradeContent: 99% -
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of fine chemicals,pharmaceutical materialsInquiryCAS No.: 591-87-7Grade: industrial GradeContent: 98% -
CN
4 YRS
Business licensed Certified factoryManufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals
Learn More Other Chemicals
-
Cyclooctenol, acetate
93981-85-2
-
Pyridinium, 1-[2-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)
59709-07-8
-
(Z)-6-Nonen-1-yl acetate
76238-22-7
-
(2,4-dichloro-6-nitrophenyl) acetate Formula
37169-10-1
-
[Bis(2,2-dimethyl-1-aziridinyl)phosphinyl](ethoxycarbonyl)azanyl acetate Formula
54805-59-3
-
2-methylidenebutyl acetate Formula
55670-09-2
-
(3-acetyl-2,5-dioxo-4,4-diphenylimidazolidin-1-yl) acetate Structure
56775-94-1
-
[3-acetyloxy-2-[2-(cyclohexylamino)-2-oxoethyl]-1-benzofuran-6-yl] acetate Structure
60722-34-1
-
What is [3-acetyloxy-2-(2-amino-2-oxoethyl)-1-benzofuran-6-yl] acetate
60722-26-1
-
What is [3-[1-acetyloxy-2-(methylamino)ethyl]phenyl] acetate
63991-22-0