2-Heptanol

2-Heptanol Basic information
Description References
Product Name:2-Heptanol
Synonyms:SEC-HEPTYL ALCOHOL;N-AMYL METHYL CARBINOL;s-heptylalcohol;2-HEPTANOL;2-HEPTYL ALCOHOL;AMYLMETHYLCARBINOL;ALCOHOL C7;METHYL AMYL CARBINOL
CAS:543-49-7
MF:C7H16O
MW:116.2
EINECS:208-844-3
Product Categories:Alcohols;Building Blocks;C7 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
Mol File:543-49-7.mol
2-Heptanol Structure
2-Heptanol Chemical Properties
Melting point -30.15°C
Boiling point 160-162 °C (lit.)
density 0.817 g/mL at 25 °C (lit.)
vapor pressure 1.6 hPa (25 °C)
FEMA 3288 | 2-HEPTANOL
refractive index n20/D 1.420(lit.)
Fp 140 °F
storage temp. Store below +30°C.
solubility 3.27g/l
pka15.44±0.20(Predicted)
form Liquid
color Clear colorless
Odorat 100.00 %. fresh lemon grass herbal sweet floral fruity green
Odor Typecitrus
explosive limit0.9%(V)
Water Solubility 0.35 g/100 mL
Merck 14,4662
JECFA Number284
BRN 1719088
Stability:Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
InChIKeyCETWDUZRCINIHU-UHFFFAOYSA-N
LogP2.29
CAS DataBase Reference543-49-7(CAS DataBase Reference)
NIST Chemistry Reference2-Heptanol(543-49-7)
EPA Substance Registry System2-Heptanol (543-49-7)
Safety Information
Hazard Codes Xn
Risk Statements 21-36
Safety Statements 36/37-36/37/39-26
RIDADR UN 1987 3/PG 3
WGK Germany 3
RTECS MJ2975000
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29051900
ToxicityLD50 orally in Rabbit: 2580 mg/kg LD50 dermal Rabbit 1460 mg/kg
MSDS Information
ProviderLanguage
2-HeptanolEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
2-Heptanol Usage And Synthesis
Description2-heptanol is one isomer of heptanol. It can be used as a flavoring agent and used in perfumery. It is a common agent in analytic chemistry. It can also be used as the intermediate of plasticizer, pharmacy, fragrance and wetting agent and as the co-solvent to be supplemented to nitro-lacquer solvent.
References[1] Giersch, Wolfgang. “Use of 2,5,6,-trimethyl-2-heptanol as a perfuming and a flavoring agent.” (2004).
[2] Weng, Wen Lu, et al. “Vapor–liquid equilibria for nitrogen with 2-hexanol, 2-heptanol, or 2-octanol binary systems.” Fluid Phase Equilibria 248.2(2006):168-173.
[3] Whitmore, Frank C., and T. Otterbacher. 2‐Heptanol. Organic Syntheses. John Wiley & Sons, Inc. 2003:60-60.
Description2-Heptanol has a brassy, herbaceous odor reminiscent of lemon and a fruity, green, somewhat bitter taste. 2-Heptanol may be synthesized from amyl magnesium bromide and acetaldehyde; by reduction of amyl methyl ketone with sodium metal in alcohol; by the action of Penicillium palitans on peanut oil.
Chemical Propertiescolourless liquid
Chemical Properties2-Heptanol has a brassy, herbaceous odor reminiscent of lemon and a fruity, green, somewhat bitter taste.
OccurrenceReported found in apple, banana, berries, grapes, strawberry jam, coconut, coconut milk, cooked potato, clove bud, ginger, cheeses, fried beef, chicken fat, cognac, beer, hop oil, brandy, rum, grape wines, cocoa, coffee, tea, flberts, honey, soy- beans, Arctic bramble, passion fruit and juices, beans, mushrooms, calamus, buckwheat, sweet corn, malt, curcuma, mastic gum leaf oil and other sources
UsesSolvent for synthetic resins, frothing agent in ore flotation.
Uses2-Heptanol may be used as an analytical standard for the determination of the analyte in volatile compound mixtures, fruit samples and aqueous samples by various chromatography techniques.
PreparationFrom amyl magnesium bromide and acetaldehyde; by reduction of amyl methyl ketone with sodium metal alcohol; by the action of Penicillium palitans on peanut oil.
DefinitionChEBI: 2-heptanol is an aliphatic alcohol.
Aroma threshold valuesDetection: 41 ppb to 81 ppb.
Synthesis Reference(s)Journal of the American Chemical Society, 89, p. 1522, 1967 DOI: 10.1021/ja00982a043
The Journal of Organic Chemistry, 43, p. 4255, 1978 DOI: 10.1021/jo00415a065
General DescriptionA clear colorless alcohol with a mild alcohol odor. Density approximately 6.8 lb / gal and insoluble in water. Hence floats on water. Flash point 130°F. Soluble in most organic liquids. Boiling point 320.7°F. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.
Air & Water ReactionsFlammable. Insoluble in water.
Reactivity ProfileMETHYLAMYL CARBINOL 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.
HazardModerate fire risk.
Health HazardInhalation 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.
2-Heptanol Preparation Products And Raw materials
Raw materialsSodium–>2-Heptanone
Preparation Products2-Heptanone

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