| Identification | More | [Name]
Heptan-1-ol | [CAS]
111-70-6 | [Synonyms]
1-HEPTANOL
1-HEPTANOL ALCOHOL
ALCOHOL C7
ENANTHIC ALCOHOL
FEMA 2548
HEPTAN-1-OL
HEPTANOL
HEPTYL ALCOHOL
N-HEPTANOL
N-HEPTYL ALCOHOL
1-HeptanoI
1-Heptyl alcohol
1-Hydroxyheptane
alcooln-heptylique
Enanthol
Enanthyl alcohol
femanumber2548
Gentanol
heptan-1-
Heptane-1-ol | [EINECS(EC#)]
203-897-9 | [Molecular Formula]
C7H16O | [MDL Number]
MFCD00002986 | [Molecular Weight]
116.2 | [MOL File]
111-70-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [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)
| [FEMA ]
2548 | [refractive index ]
n20/D 1.424(lit.)
| [Fp ]
165 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
1g/l | [form ]
Liquid | [pka]
15.38±0.10(Predicted) | [color ]
Clear | [Odor]
Weak alcoholic. | [Relative polarity]
0.549 | [Stability:]
Stable. Flammable. Incompatible with strong acids, strong oxidizing agents. | [explosive limit]
0.9%(V) | [Odor Threshold]
0.0048ppm | [Odor Type]
green | [Water Solubility ]
2.85 g/L (100 ºC) | [JECFA Number]
94 | [Merck ]
14,4661 | [BRN ]
1731686 | [Dielectric constant]
6.7（21℃） | [InChIKey]
BBMCTIGTTCKYKF-UHFFFAOYSA-N | [LogP]
2.2 at 20℃ | [CAS DataBase Reference]
111-70-6(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Heptanol(111-70-6) | [EPA Substance Registry System]
111-70-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes. | [Safety Statements ]
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2810 | [WGK Germany ]
1
| [RTECS ]
MK0350000
| [Autoignition Temperature]
662 °F | [TSCA ]
Yes | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29051900 | [Hazardous Substances Data]
111-70-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg |
| Hazard Information | Back Directory | [General Description]
Watery colorless liquid with a weak alcohol odor. Floats on water. | [Reactivity Profile]
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. | [Hazard]
Combustible. | [Health Hazard]
Low toxicity; liquid may irritate eyes. | [Description]
Heptyl 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 Properties]
colourless liquid | [Chemical Properties]
Heptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste. | [Occurrence]
Reported 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 | [Uses]
1-Heptanol have also been used in the fragrance industry due to its pleasant smell. | [Uses]
1-Heptanol, is used in the fragrance industry due to its pleasant smell. | [Definition]
ChEBI:1-heptanol is an alkyl alcohol that is heptane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Capillipedium parviflorum. It has a role as a plant metabolite, a fragrance and a flavouring agent. It is a primary alcohol, an alkyl alcohol and a volatile organic compound. It derives from a hydride of a heptane. | [Preparation]
By reduction of enanthic aldehyde, which is a distillation product of castor oil. | [Production Methods]
1-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 values]
Detection: 3 ppb. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 57, p. 1061, 1992 DOI: 10.1021/jo00030a003
Synthesis, p. 701, 1979 DOI: 10.1055/s-1979-28800 | [Flammability and Explosibility]
Nonflammable | [Chemical Reactivity]
Reactivity 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 Actions]
Taste at 1-10 ppm | [Purification Methods]
Shake 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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