2-Heptanol
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2-Heptanol
structure -
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CAS No:
543-49-7
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Formula:
C7H16O
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Chemical Name:
2-Heptanol
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Synonyms:
2-Heptanol;Amyl methyl carbinol;s-Heptyl alcohol;2-Hydroxyheptane;Methyl amyl carbinol;2-Heptyl alcohol;1-Methylhexanol;(±)-2-Heptanol;DL-Heptan-2-ol;NSC 2220;52390-72-4
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CAS No:
Description
2-Heptanol has a brassy, herbaceous odor reminiscent of lemon and a fruity, green, somewhat bitter taste. colourless liquid
2-Heptanol is a chemical compound which is an isomer of heptanol. It is a secondary alcohol with the hydroxyl on the second carbon of the straight seven-carbon chain.
2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.|COLOURLESS LIQUID.|colourless liquid with a fresh lemon-like, grass-herbaceous odour
2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.|2-heptanol is an aliphatic alcohol.
2-Heptanol Basic Attributes
116.2
116.20
1719088
208-844-3
1083
88869|2220
1993
DTXSID1047158
29051900
Characteristics
20.2
2.3
Clear colorless Liquid
0.82 g/cm3
80-81 °C
158-160 °C
140 °F
1.421
H2O: 0.35 g/100 mL
Store below +30°C.
Vapour pressure, kPa at 20°C: 0.133
Relative vapour density (air = 1): 4
Oral-Rat LD50: 2580 mg/kg
Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke
0.9%(V)
Flammable. Insoluble in water.
Alcohols and Polyols
2-HEPTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Safety Information
Ⅲ
3
UN 1987 3/PG 3
3
21-36
36/37-36/37/39-26
MJ2975000
Xn
Warehouse ventilated, low temperature and dry
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
P280
H226-H312
UN 1987
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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 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. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)|Combustible. Above 71 °C explosive vapour/air mixtures may be formed.
|Warning|H226 (98.23%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1753 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective. SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. 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)|Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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 128 [Flammable Liquids (Water-Immiscible)]: 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. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. 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 128 [Flammable Liquids (Water-Immiscible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered 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 severely irritating to the eyes. The substance is irritating to the respiratory tract. The substance is mildly irritating to the skin. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
The substance defats the skin, which may cause dryness or cracking.
NO open flames. Above 71 °C use a closed system and ventilation.
Use ventilation, local exhaust or breathing protection.
Protective gloves.
Wear safety goggles.
Drug Information
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may 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 128 [Flammable Liquids (Water-Immiscible)]: 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. 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. (ERG, 2016)
Fresh air, rest.
Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Cough. Sore throat.
Dry skin.
Redness. Pain.
2-Heptanol Use and Manufacturing
It is synthesized from pentyl magnesium bromide and acetaldehyde. Derived from the reaction of methylpentanone and sodium metal in ethanol.
It is added as a cosolvent in the nitro spray paint solvent, used as an intermediate for plasticizers, wetting agents, medicines, perfumes, and other analytical chemicals.
2-Heptanol: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]
Flavoring Agents
Computed Properties
Molecular Weight:116.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:43.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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