ChemicalBook > CAS DataBase List > 1-Heptanol

1-Heptanol

Product Name
1-Heptanol
CAS No.
111-70-6
Chemical Name
1-Heptanol
Synonyms
HEPTANOL;N-HEPTANOL;HEPTAN-1-OL;HEPTYL ALCOHOL;Enanthol;ALCOHOL C7;1-HeptanoI;n-Heptan-1-ol;Gentanol;n-C7H15OH
CBNumber
CB0342528
Molecular Formula
C7H16O
Formula Weight
116.2
MOL File
111-70-6.mol
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1-Heptanol Property

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
Flash point:
165 °F
storage temp. 
Store below +30°C.
solubility 
1g/l
form 
Liquid
pka
15.38±0.10(Predicted)
color 
Clear
Relative polarity
0.549
Odor
Weak alcoholic.
Odor Threshold
0.0048ppm
Odor Type
green
explosive limit
0.9%(V)
Water Solubility 
2.85 g/L (100 ºC)
Merck 
14,4661
JECFA Number
94
BRN 
1731686
Dielectric constant
6.7（21℃）
Stability:
Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
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
1-Heptanol (111-70-6)
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Safety

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 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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W254800
Product name
Heptyl alcohol
Purity
≥97%, FCC, FG
Packaging
1kg
Price
$76.5
Updated
2024/03/01
Sigma-Aldrich
Product number
W254800
Product name
Heptyl alcohol
Purity
≥97%, FCC, FG
Packaging
4kg
Price
$165
Updated
2024/03/01
Sigma-Aldrich
Product number
W254800
Product name
Heptyl alcohol
Purity
≥97%, FCC, FG
Packaging
20kg
Price
$455
Updated
2024/03/01
Sigma-Aldrich
Product number
8.20624
Product name
1-Heptanol
Purity
for synthesis
Packaging
100mL
Price
$32.3
Updated
2024/03/01
Sigma-Aldrich
Product number
8.20624
Product name
1-Heptanol
Purity
for synthesis
Packaging
500mL
Price
$60.1
Updated
2024/03/01
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1-Heptanol Chemical Properties,Usage,Production

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

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, is used in the fragrance industry due to its pleasant smell.

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.

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.

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

Reactivity Profile

Heptan-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.

Health Hazard

1-Heptanol is low toxicity; liquid may irritate eyes.

Flammability and Explosibility

Non flammable

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.]

1-Heptanol Preparation Products And Raw materials

Raw materials

Iron filings Heptaldehyde Pentane

Preparation Products

1-Iodoheptane potassium ω-hydroperfluroheptylate HEPTYL ISOBUTYRATE 5-METHYL-3-HEPTANONE HEPTYL CAPRYLATE HEPTYL FORMATE HEPTYL BUTYRATE Heptyl 4-hydroxybenzoate
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View Lastest Price from 1-Heptanol manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
1-Heptanol 111-70-6
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-05-29
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
n-Heptyl alcohol 111-70-6
Price
US $70.00/kg
Min. Order
1kg
Purity
99
Supply Ability
5000
Release date
2024-06-04
Shandong Deshang Chemical Co., Ltd.
Product
1-Heptanol 111-70-6
Price
US $8.00-5.00/kg
Min. Order
1kg
Purity
99.99%
Supply Ability
10 tons
Release date
2024-06-07

111-70-6, 1-HeptanolRelated Search:

Heptane Heptanoic acid Sodium butanolate Butyryl chloride Butylamine Methyl 3-oxohexanoate 1-Bromopropane 1-Butanol n-Butyllithium N-EICOSANE Decanoic acid N-TRICOSANE N-TETRACOSANE 1-Hexanol N-DECYLCYCLOHEXANE Hexanal Butyric Acid Decane

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