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1-Heptanol

CAS No.111-70-6
Chemical Name:1-Heptanol
CBNumber:CB0342528
Molecular Formula:C7H16O
Formula Weight:116.2
MOL File:111-70-6.mol

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)
FEMA 2548 | HEPTYL ALCOHOL
refractive index n20/D 1.424(lit.)
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
explosive limit 0.9%(V)
Odor Type green
biological source synthetic
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℃
Surface tension 26.47mN/m at 298.15K
Substances Added to Food (formerly EAFUS) HEPTYL ALCOHOL
CAS DataBase Reference 111-70-6(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 8JQ5607IO5
NIST Chemistry Reference 1-Heptanol(111-70-6)
EPA Substance Registry System 1-Heptanol (111-70-6)
UNSPSC Code 41116107
NACRES NA.24

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

NFPA 704:

	2
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313

1-Heptanol Price More Price(23)

Brand: Sigma-Aldrich(India)
Product number: W254820
Product name : Heptyl alcohol
Purity: natural, 98%
Packaging: 1SAMPLE-K
Price: ₹5347.55
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W254820
Product name : Heptyl alcohol
Purity: natural, 98%
Packaging: 1KG
Price: ₹20037.08
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W254820
Product name : Heptyl alcohol
Purity: natural, 98%
Packaging: 5KG
Price: ₹92174.88
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W254820
Product name : Heptyl alcohol
Purity: natural, 98%
Packaging: 25KG
Price: ₹327900.08
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W254800
Product name : Heptyl alcohol
Purity: ≥97%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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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.
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.
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.
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.]