1-Heptanol

1-Heptanol
  • CAS No.:111-70-6
Other grades of this product :
1-Heptanol Basic information
Product Name:1-Heptanol
Synonyms:l’alcooln-heptyliqueprimaire;l'Alcool n-heptylique primaire;n-C7H15OH;n-Heptan-1-ol;n-Heptanol-1;n-Hexylcarbinol;pri-n-heptylalcohol;Heptan-1-ol 98+ %
CAS:111-70-6
MF:C7H16O
MW:116.2
EINECS:203-897-9
Product Categories:Alcohols;Building Blocks;C7 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;1-Alkanols;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes
Mol File:111-70-6.mol
1-Heptanol Chemical Properties
Melting point -36 °C (lit.)
Boiling point 176 °C (lit.)
density 0.822 g/mL at 25 °C (lit.)
vapor pressure 0.5 mm Hg ( 20 °C)
refractive index n20/D 1.424(lit.)
FEMA 2548 | HEPTYL ALCOHOL
Fp 165 °F
storage temp. Store below +30°C.
solubility 1g/l
form Liquid
pka15.38±0.10(Predicted)
color Clear
Relative polarity0.549
OdorWeak alcoholic.
Odor Threshold0.0048ppm
explosive limit0.9%(V)
Water Solubility 2.85 g/L (100 ºC)
Merck 14,4661
JECFA Number94
BRN 1731686
Stability:Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
InChIKeyBBMCTIGTTCKYKF-UHFFFAOYSA-N
LogP2.2 at 20℃
CAS DataBase Reference111-70-6(CAS DataBase Reference)
NIST Chemistry Reference1-Heptanol(111-70-6)
EPA Substance Registry System1-Heptanol (111-70-6)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36-52
Safety Statements 36-36/37/39-26
RIDADR 2810
WGK Germany 1
RTECS MK0350000
Autoignition Temperature662 °F
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29051900
Hazardous Substances Data111-70-6(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg
MSDS Information
ProviderLanguage
Heptan-1-ol English
SigmaAldrich English
ACROS English
ALFA English
1-Heptanol Usage And Synthesis
DescriptionHeptyl alcohol has a faint, aromatic, fatty odor and a pungent, spicy taste. It may be synthesized by reduction of enanthic aldehyde, which is a distillation product of castor oil.
Chemical PropertiesHeptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste.
Chemical Propertiescolourless liquid
OccurrenceReported found in a few essential oils, hyacinth, violet leaves, Litsea zeylanica Also reported found in apple, banana, citrus peel oils, orange juice, bilberry, cranberry, blueberry, other berries, currants, melon, papaya, peach, pear, pineapple, asparagus, peas, potato, mustard, cheeses, butter, milk, meats, hop oil, beer, cognac, rum, bourbon whiskey, grape wines, cocoa, tea, flberts, pecans, peanuts, soybeans, passion fruit juice, olive, macadamia nuts, mango, tamarind, fgs, cardamom, rice, calamus, dill, corn, malt, kiwifruit, truffe, nectarine, crab, crayfsh, clams and other sources
Uses1-Heptanol, is used in the fragrance industry due to its pleasant smell.
Uses1-Heptanol have also been used in the fragrance industry due to its pleasant smell.
PreparationBy reduction of enanthic aldehyde, which is a distillation product of castor oil.
Production Methods1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde. It has little commercial value except in fragrances and as an artificial flavoring agent.
Aroma threshold valuesDetection: 3 ppb.
Synthesis Reference(s)The Journal of Organic Chemistry, 57, p. 1061, 1992 DOI: 10.1021/jo00030a003Synthesis, p. 701, 1979 DOI: 10.1055/s-1979-28800
General DescriptionWatery colorless liquid with a weak alcohol odor. Floats on water.
Reactivity ProfileHeptan-1-ol 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.
HazardCombustible.
Health HazardLow toxicity; liquid may irritate eyes.
Flammability and ExplosibilityNonflammable
Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Biochem/physiol ActionsTaste at 1-10 ppm
Purification MethodsShake the alcohol with successive lots of alkaline KMnO4 until the colour persists for 15minutes, then dry it with K2CO3 or CaO, and fractionally distil it. [Beilstein 1 IV 1731.]

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