ChemicalBook--->CAS DataBase List--->26952-21-6

26952-21-6

26952-21-6 Structure

26952-21-6 Structure
IdentificationMore
[Name]

ISOOCTYL ALCOHOL
[CAS]

26952-21-6
[Synonyms]

exxal8
isooctylalcohol(mixedisomers)
oxooctylalcohol
isooctan-1-ol
isooctyl alcolol
[EINECS(EC#)]

248-133-5
[Molecular Formula]

C8H18O
[Molecular Weight]

130.228
[MOL File]

26952-21-6.mol
Questions And AnswerBack Directory
[Preparation]

The main processes for preparing ISOOCTYL ALCOHOL include carbonyl synthesis and acetaldehyde condensation. The carbonyl synthesis method uses propylene as the main raw material, adding syngas to produce butyraldehyde via a carbonyl synthesis reaction, followed by condensation, dehydration, and hydrogenation to obtain ISOOCTYL ALCOHOL. The acetaldehyde condensation method uses acetaldehyde as the main raw material, producing ISOOCTYL ALCOHOL through condensation, dehydration, and hydrogenation. The carbonyl synthesis method, using propylene as the main raw material, is currently the mainstream preparation process in my country's ISOOCTYL ALCOHOL industry.
Chemical PropertiesBack Directory
[Melting point ]

-117.1°C
[Boiling point ]

170.96°C (estimate)
[density ]

0.832
[refractive index ]

1.4046 (estimate)
[storage temp. ]

Store at room temperature
[form ]

Liquid; a mixture of closely related isomeric, primary alcohols with branched chains
[Appearance]

Colorless to off-white Liquid
[Odor]

at 100.00 %. fatty orange rose
[Odor Threshold]

0.0093ppm
[Odor Type]

fatty
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
PERFUMING
[InChI]

InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
[InChIKey]

BWDBEAQIHAEVLV-UHFFFAOYSA-N
[SMILES]

C(O)CCCCC(C)C
[LogP]

2.730 (est)
[CAS DataBase Reference]

26952-21-6(CAS DataBase Reference)
[EPA Substance Registry System]

Isooctanol (26952-21-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
[OEB]

A
[OEL]

TWA: 50 ppm (270 mg/m3) [skin]
[RIDADR ]

3082
[TSCA ]

TSCA listed
[HazardClass ]

9
[PackingGroup ]

III
[Hazardous Substances Data]

26952-21-6(Hazardous Substances Data)
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with a faint pleasant odor. Flash point 180°F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent, in the making of cutting and lubricating oils, in hydraulic fluids, and in the production of other chemicals.
[Reactivity Profile]

ISOOCTYL ALCOHOL(26952-21-6) attacks plastics. REF [Handling Chemicals Safely, 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water, [Merck 11th ed., 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid, [Chem. Eng. News 45(43):73(1967); J, Org. Chem. 28:1893(1963)]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites, [NFPA 491 M, 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

Inhalation hazard slight. Skin contact results in moderate irritation. Liquid contact with eyes causes severe irritation and possible eye damage.
[Uses]

Intermediate in the manufacture of 2- ethylhexyl acetate, a lacquer solvent; solvent for nitrocellulose, urea, resins, enamels, alkyd varnishes, and lacquers; used in ceramics, paper coatings, textiles, and latex rubbers
[Definition]

ChEBI: 6-methylheptan-1-ol is a primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1. It has a role as a mammalian metabolite. It is a primary alcohol and a volatile organic compound.
[Toxics Screening Level]

The initial threshold screening level (ITSL) for isooctanol (also called isooctyl alcohol) is 2700 μg/m3 (8-hour averaging time).
Spectrum DetailBack Directory
[Spectrum Detail]

ISOOCTYL ALCOHOL(26952-21-6)1HNMR
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