Isodecanol
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Isodecanol
structure -
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CAS No:
25339-17-7
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Formula:
C10H22O
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Chemical Name:
Isodecanol
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Synonyms:
Isodecanol;Isodecyl alcohol;Exxal 10;12758-52-0;50973-08-5
- Categories:
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CAS No:
Description
Colorless liquid.Insoluble in water. Combustible.
Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999)|Liquid|SLIGHTLY VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.
Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999)
Isodecanol Basic Attributes
158.28
158.167068
246-869-1
3160X491M7
0495
3082
DTXSID4027864|DTXSID8028686|DTXSID3058660
Colorless liquid
Characteristics
20.2
3.71 (est)
Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999)
0.841 g/cm3 @ Temp: 20 °C
7 °C
220 °C @ Press: 800 Torr
95 °C
1.434
Solubility in water, g/100ml: 2.5
Materials which are toxic as stored or which can decompose into toxic components should be stored in a cool well ventilated place, out of the direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. Incompatible materials should be isolated
Vapour pressure, kPa at 70°C: 0.13
Relative vapour density (air = 1): 5.5
vol% in air: 0.8.5
WEAK ALCOHOLIC
Henry's Law constant = 5.5X10-5 atm-cu m/mol at 25 °C (est)
Hydroxyl radical reaction rate constant = 1.5X10-11 cu cm/molec-sec at 25 °C (est)
No rapid reaction with air. No rapid reaction with water.
Alcohols and Polyols
ISODECYL ALCOHOL attacks plastics. REF [Handling Chemicals Safely, 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water, [Merck 11th ed., 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid, [Chem. Eng. News 45(43):73(1967); J, Org. Chem. 28:1893(1963)]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites, [NFPA 491 M, 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
266 °C
120 BTU/LB= 67 CAL/G= 2.8X10+5 JOULE/KG (EST)
Safety Information
III
9
3082
36
26-36
NR0960000
Xi
Separated from strong oxidants.
P261, P264, P271, P273, P280, P304+P340, P305+P351+P338, P312, P337+P313, P391, P403+P233, P405, P501
H319
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Reacts with strong oxidants.
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, be aware of possible short circuiting as this product is transported in a charged state. (ERG, 2016)|Combustible.
|Warning|H315 (79.66%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P264, P273, P280, P302+P352, P305+P351+P338, P314, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 443 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H319 (94.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, 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.|H315 (54.79%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 543 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, and P501
Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. 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 171 [Substances (Low to Moderate Hazard)]: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. Avoid inhalation of asbestos dust. SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area. SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2016)
Chemical goggles. (USCG, 1999)|Chemical goggles
Combustible when exposed to heat or flame.
Explosive limits , vol% in air: 0.8-4.5
Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire.
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place.
Direct contact with skin can produce irritation. ... Vapors are non-irritating to the eyes & throat. Causes smarting of skin & first-degree burns on short exposure; may cause secondary burns on long exposure.
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Separated from strong oxidants.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The substance is irritating to the eyes, skin and respiratory tract. Exposure could cause depression of the central nervous system.
The substance defats the skin, which may cause dryness or cracking.
NO open flames.
Use ventilation.
Protective gloves.
Wear safety goggles.
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isodecyl alcohol is produced, as an intermediate or a final product, by process units covered under this subpart.
| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.
Toxicity
LD50 Rat oral 6400 mg/kg|LD50 Rabbit dermal 3150 mg/kg|LD50 Rabbit dermal 3.56 mL/kg /Mixed isomers of decyl oxo alcohols/|LD50 Rat oral 9.8 g/kg /Mixed isomers of decyl oxo alcohols/|For more Non-Human Toxicity Values (Complete) data for ISODECYL ALCOHOL (6 total), please visit the HSDB record page.
Isodecyl alcohol's use as an intermediate for the production of plasticizers(1) and as an antifoaming agent in textile processing(2) 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 structure estimation method(2), indicates that isodecyl alcohol is expected to have high mobility in soil(SRC). Volatilization of isodecyl alcohol from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Isodecyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.1X10-2 mm Hg(SRC), determined from a fragment constant method(4). Theoretical BOD values of 14-24% in 5 days(5) indicate that biodegradation may be an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that isodecyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may be expected(3) based upon an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 24 hours and 11 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 145(SRC), from an estimated log Kow of 3.71(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Theoretical BOD values of 14-24% in 5 days(8) indicate that biodegradation may be an important environmental fate process in water.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isodecyl alcohol, which has an estimated vapor pressure of 2.1X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isodecyl alcohol 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 25 hours(SRC), calculated from its rate constant of 1.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).
The rate constant for the vapor-phase reaction of isodecyl alcohol with photochemically-produced hydroxyl radicals has been estimated as 1.5X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 25 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Isodecyl alcohol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2).
An estimated BCF of 145 was calculated for isodecyl alcohol(SRC), using an estimated log Kow of 3.71(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isodecyl alcohol can be estimated to be 81(SRC). According to a classification scheme(2), this estimated Koc value suggests that isodecyl alcohol is expected to have high mobility in soil.
The Henry's Law constant for isodecyl alcohol is estimated as 5.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isodecyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 24 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 11 days(SRC). Isodecyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isodecyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.07X10-2 mm Hg(SRC), determined from a fragment constant method(3).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 32,203 workers (4507 of these are female) are potentially exposed to isodecyl alcohol in the US(1). Occupational exposure to isodecyl alcohol may occur through dermal contact with this compound at workplaces where isodecyl alcohol is produced or used(SRC). The general population may be exposed to isodecyl alcohol dermal contact with products containing isodecyl alcohol(SRC).
Drug Information
By-products of propylene-butylene polymerization/to produce isodecyl alcohol/are isooctyl and isononyl alcohols
Direct contact with skin can produce irritation. (USCG, 1999)
Wash affected area with water for 15 min. (USCG, 1999)
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Basic Treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Higher alcohols (>3 carbons) and related compounds/|Advanced Treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques, with a bag-valve-mask device, may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose strip or glucometer readings below 50 mg) and administer 50% dextrose if necessary ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Higher alcohols (>3 carbons) and related compounds/
/SIGNS AND SYMPTOMS/ The substance irritates the eyes, the skin and the respiratory tract. Exposure could cause central nervous system depression.|/SIGNS AND SYMPTOMS/ Direct contact with skin can produce irritation. ... Vapors are non-irritating to the eyes and throat. Causes smarting of skin and first-degree burns on short exposure; may cause secondary burns on long exposure.
isodecyl alcohol
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Cough. Dizziness. Lethargy. Headache. Nausea. Sore throat.
Dry skin. Redness.
Redness. Pain.
Isodecanol Use and Manufacturing
Reaction of nonenes, carbon monoxide, and hydrogen using a cobalt catalyst (oxo process), followed by hydrogenation|Polymerization of propylenes and butenes with phosphoric acid at 200 °C and 3040-6080 kPa to give a mixture of branched olefins /which upon alkaline hydrolysis/ gives isodecyl alcohol.
Antifoaming agent in textile processing.
Intermediates|Adhesives and sealant chemicals
Agricultural products (non-pesticidal)|Adhesives and sealants
1,000,000 - 10,000,000 lb|100,000,000 - 250,000,000 lb|This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|(1972) 6.8X10+10 GRAMS|(1973) 7.91X10+10 GRAMS|(1980) 59,000 tonnes|For more U.S. Production (Complete) data for ISODECYL ALCOHOL (9 total), please visit the HSDB record page.
Approx 70% as a chem int for the plasticizer, diisodecyl phthalate; approx 30% for all other uses (1972)
Grades or purity: Technical: mixed isomers.|The commercial product typically consists of trimethyl-1-heptanols and dimethyl-1-octanols; the composition and CAS registry number depend on the olefin feedstock.
All other basic organic chemical manufacturing|Isodecanol: ACTIVE|Adhesive manufacturing|Alcohols, C9-11-iso-, C10-rich: ACTIVE|Alcohols, C9-11-branched: ACTIVE|Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol" /eg, 1-decanol/, and the mixtures are called "-yl alcohol /eg, decyl alcohol/ or "iso...yl alcohol" /eg, isodecyl alcohol/.
Computed Properties
Molecular Weight:158.28
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:69.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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