108-82-7

Name	Diisobutylcarbinol
CAS	108-82-7
EINECS(EC#)	203-619-6
Molecular Formula	C9H20O
MDL Number	MFCD00008944
Molecular Weight	144.25
MOL File	108-82-7.mol

Chemical Properties

Appearance	clear liquid
Melting point	-65.15°C
Boiling point	178 °C(lit.)
density	0.809 g/mL at 25 °C(lit.)
FEMA	3140
refractive index	n20/D 1.423(lit.)
Fp	158 °F
form	clear liquid
pka	15.31±0.20(Predicted)
color	Colorless to Almost colorless
Odor	Characteristic.
Odor Type	ethereal
Water Solubility	insoluble
JECFA Number	303
LogP	3.08
CAS DataBase Reference	108-82-7(CAS DataBase Reference)
NIST Chemistry Reference	4-Heptanol, 2,6-dimethyl-(108-82-7)
EPA Substance Registry System	108-82-7(EPA Substance)

Safety Data

Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S24/25:Avoid contact with skin and eyes . less more
RIDADR	NA 1993 / PGIII
WGK Germany	2
RTECS	MJ3325000
HS Code	2905190098
Safety Profile	Moderately toxic by ingestion and intraperitoneal routes. Mddly toxic by skin contact. A powerful systemic irritant by inhalation. A skin and eye irritant. Can cause central nervous system and liver damage when ingested. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. less more
Hazardous Substances Data	108-82-7(Hazardous Substances Data)
Toxicity	mouse,LD50,oral,3530mg/kg (3530mg/kg),Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961. less more

Hazard Information

General Description

A colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.

Reactivity Profile

DIISOBUTYLCARBINOL(108-82-7) 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.

Air & Water Reactions

Insoluble in water.

Health Hazard

None expected

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Chemical Properties

clear liquid

Occurrence

Reported found in cognac, white wine and red wine.

Uses

2,6-Dimethyl-4-heptanol may be used in the preparation of the protected β-hydroxybutyrates. It may also be used as a hydrogen donor during the dynamic kinetic resolution (DKR) of various diols, monoprotected diols and the protected hydroxy aldehydes.

Uses

Diisobutylcarbinol is used as a fragrance ingredient.

Definition

ChEBI: Diisobutylcarbinol is a secondary alcohol.

Preparation

By catalytic hydrogenation of diisobutyl ketone

Aroma threshold values

Detection: 1.3 ppm

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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