HEPTYL CARBINOL

HEPTYL CARBINOL - Names and Identifiers

Name	1-Octanol
Synonyms	sipoll8 octanol 1-Octanol 1-OCTANOL FEMA 2800 n-octanol OCTANOL,1- octan-1-ol ALCOHOL C-8 Alcohol C-8 Octyl alcohol Capryl alcohol CAPRYL ALCOHOL 1-octyl alcohol HEPTYL CARBINOL Heptyl carbinol N-OCTYL ALCOHOL N-CAPRYL ALCOHOL n-Capryl Alcohol Caprylic alcohol CAPRYLIC ALCOHOL n-Caprylic Alcohol
CAS	111-87-5
EINECS	203-917-6
InChI	InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey	KBPLFHHGFOOTCA-UHFFFAOYSA-N

HEPTYL CARBINOL - Physico-chemical Properties

Molecular Formula	C8H18O
Molar Mass	130.23
Density	0.827g/mLat 25°C(lit.)
Melting Point	−15°C(lit.)
Boling Point	196°C(lit.)
Flash Point	178°F
JECFA Number	97
Water Solubility	insoluble
Solubility	Insoluble in water, soluble in ethanol, ether, chloroform.
Vapor Presure	0.14 mm Hg ( 25 °C)
Vapor Density	4.5 (vs air)
Appearance	Transparent colorless oily liquid
Color	APHA: ≤10
Odor	Alcohol like
Maximum wavelength(λmax)	['λ: 215 nm Amax: 1.00', , 'λ: 225 nm Amax: 0.50', , 'λ: 235 nm Amax: 0.20', , 'λ: 25
Merck	14,6751
BRN	1697461
pKa	15.27±0.10(Predicted)
Storage Condition	Store below +30°C.
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.
Sensitive	Easily absorbing moisture
Explosive Limit	0.8%(V)
Refractive Index	n20/D 1.429(lit.)
MDL	MFCD00002988
Physical and Chemical Properties	Appearance and properties of colorless oily liquid, irritating odor. relative vapor density (Air = 1): 4.48 saturated vapor pressure (kPa): 0.13(54 ℃) heat of combustion (kJ/mol): 5275.2 solubility: insoluble in water, soluble in ethanol, ether, chloroform. It is mainly used in the production of plasticizers, extractants, stabilizers, and intermediates for solvents and fragrances. In the field of plasticizers, octanol is generally referred to as 2-ethyl ethanol, which is a million-ton bulk feedstock and is industrially far more valuable than N-octanol. Octanol itself is also used as a spice, blending rose, lily and other flower fragrance, as soap spices. The product is China's GB2760-86 provisions for the allowed use of edible spices. Mainly used in the preparation of coconut, pineapple, peach, chocolate and citrus flavor. "
Use	Mainly used in the production of plasticizers, extractants, stabilizers, as solvents and fragrances of the intermediate. In the field of plasticizers, octanol is generally referred to as 2-ethyl ethanol, which is a million-ton bulk feedstock and is industrially far more valuable than N-octanol. Octanol itself is also used as a spice, blending rose, lily and other flower fragrance, as soap spices. The product is China's GB2760-86 provisions for the allowed use of edible spices. Mainly used in the preparation of coconut, pineapple, peach, chocolate and citrus flavor, used as surfactants, solvents, antifoaming agents, industrial additives

HEPTYL CARBINOL - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/38 - Irritating to eyes and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection
UN IDs	3082
WGK Germany	1
RTECS	RH6550000
TSCA	Yes
HS Code	29051680
Hazard Class	9
Packing Group	III
Toxicity	LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

HEPTYL CARBINOL - Upstream Downstream Industry

Raw Materials	Propylene Hydrogen
Downstream Products	2-Ethylhexanoic Acid 2-Ethylhexyl acrylate Isooctyl Nitrate Peach aldehyde Adipic acid di-n-octyl ester Diethyl phthalate Dibutyl phthalate

HEPTYL CARBINOL - Reference

Reference

1. [IF=6.321] Yongfeng Chen et al."A Novel Drug Self-Delivery System from Fatty Alcohol Esters of Tranexamic Acid for Venous Malformation Sclerotherapy."Pharmaceutics. 2022 Feb;14(2):343

HEPTYL CARBINOL - Nature

Open Data Verified Data

colorless oily liquid. With ethanol, ether and chloroform miscible, insoluble in water.

Last Update：2024-01-02 23:10:35

HEPTYL CARBINOL - Preparation Method

Open Data Verified Data

octanol is present in essential oils such as bitter orange, grapefruit, sweet orange, green tea, Violet Leaf, etc., either in a free state, or in an acetate, butyrate, isovalerate. In industrial production, octanal can be reduced or octanoic acid present in coconut oil can be used to prepare each. It can also be obtained by a carbonyl synthesis method using heptene-1 as a raw material. Heptene and carbon monoxide and hydrogen in the presence of cobalt salt, at 150,170 deg C and 20~30MPa high pressure to produce aldehyde, after cobalt removal, and then nickel catalyst pressure hydrogenation into primary alcohol.

Last Update：2025-06-10 22:55:16

HEPTYL CARBINOL - Introduction

It has a special aromatic smell. It can be mixed with ethanol, chloroform and ether, and is insoluble in water. Flammable. Median lethal dose (mouse, oral) 1790mg/kg, irritating

Last Update：2022-10-16 17:12:04

HEPTYL CARBINOL - Application

Open Data Verified Data

used as an additive for oil-based fracturing fluids. It is also used in the production of plasticizers, extractants, stabilizers, as intermediates for solvents and perfumes. Octanol itself is also used as a spice, blending rose, lily and other floral essences, as soap spices.

Last Update：2025-08-19 16:24:40

HEPTYL CARBINOL - Reference Information

FEMA	2800 \| 1-OCTANOL
relative polarity	0.537
olfactory threshold (Odor Threshold)	0.0027ppm
LogP	3.5 at 23℃
NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
application	octanol, also known as n-octanol, is an organic compound, colorless and transparent oily liquid, with strong grease smell and citrus flavor, not miscible with water, but miscible with ethanol, ether and chloroform. Octanol is mainly used to prepare dioctyl phthalate, dioctyl terephthalate, octyl acrylate, dioctyl azelate, dioctyl sebacate and other products; in addition, it can also be used as solvent, Plasticizer, antifreeze, lubricant, extractant, dispersant, stabilizer, perfume and other products are used in refined oil, plastics, coatings, printing and dyeing, food processing, cosmetics and other fields. Octanol is mainly used to produce plasticizers, extractants, stabilizers, and intermediates for solvents and fragrances. In the field of plasticizers, octanol generally refers to 2-ethylethanol, which is a bulk raw material of one million tons and is far more valuable in industry than n-octanol. Octanol itself is also used as a spice, blending roses, lilies and other floral flavors, as a soap spice. This product is a edible spice allowed by the GB2760-86 regulations of our country. It is mainly used to prepare coconut, pineapple, peach, chocolate and citrus essence.
use	can be used in an appropriate amount of rose, jasmine, lilac, sweet bean flower, honey fragrance, orange blossom, citrus, parsnip root, cologne, pine needles, etc. It can be coordinated with rose, ylang ylang, parsnip root, orange oil and linalool. It can also be used in trace amounts of peaches, pineapples, coconuts, chocolate, various citrus and fruit-based flavors. It is mainly used to produce plasticizers, extractants, stabilizers, and intermediates for solvents and fragrances. In the field of plasticizers, octanol generally refers to 2-ethylethanol, which is a bulk raw material of one million tons and is far more valuable in industry than n-octanol. Octanol itself is also used as a spice, blending roses, lilies and other floral flavors, as a soap spice. This product is a edible spice that is allowed to be used according to the GB2760-86 regulations of our country. Mainly used to prepare coconut, pineapple, peach, chocolate and citrus flavors. It can be used as a raw material for fragrances, octopaldehyde, caprylic acid and its esters, as well as as solvents, defoamers and lubricating oil additives It is used for the preparation of fragrances, as well as solvents and anti-foaming agents. Used as surfactants, solvents, defoamers, industrial additives, etc. Solvents, flavoring agents, defoamers, organic synthesis, instead of pentanol to reduce ketones, manufacturing fragrances, gas chromatography analysis standards.
production method	octanol exists in the free state of essential oils such as bitter orange, pomelo, sweet orange, green tea, violet leaves, or in the form of acetate, butyrate and isovalerate. In industrial production, octanal can be reduced or prepared by using the octanoic acid present in coconut oil. It can also be obtained by carbonyl synthesis with hepten-1 as raw material. In the presence of cobalt salt, heptene, carbon monoxide and hydrogen generate aldehydes at 150-170 ℃ and 20-30MPa. After cobalt removal, they are pressurized and hydrogenated into primary alcohols with nickel catalyst. The law has a mature production process abroad.
category	flammable liquid
toxicity classification	poisoning
acute toxicity	oral-mouse LD50: 1790 mg/kg
stimulation data	skin-rabbit 500 mg/24 hours mild
flammability hazard characteristics	combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke
storage and transportation characteristics	warehouse ventilation and low temperature drying
fire extinguishing agent	foam, carbon dioxide, mist water, sand
occupational standard	STEL 10 mg/m3
auto-ignition temperature	523 °F
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)