ChemicalBook Product Catalog Chemical Reagents Organic reagents Fatty alcohols 3-METHYL-1-PENTANOL

3-METHYL-1-PENTANOL

Product Name3-METHYL-1-PENTANOL
CAS589-35-5
MFC6H14O
MW102.17
EINECS209-644-9
MOL File589-35-5.mol

Chemical Properties

Melting point	-48.42°C (estimate)
Boiling point	151-152 °C (lit.)
Density	0.823 g/mL at 25 °C (lit.)
vapor density	>1 (vs air)
refractive index	n20/D 1.418(lit.)
FEMA	3762 \| 3-METHYL-1-PENTANOL
Flash point	138 °F
storage temp.	Sealed in dry,Room Temperature
pka	15.21±0.10(Predicted)
form	Liquid
color	Clear colorless
Specific Gravity	0.823
Odor	at 100.00 %. fusel cognac wine cocoa green fruity
Odor Type	fermented
biological source	synthetic
Water Solubility	4.282g/L(25 ºC)
JECFA Number	263
BRN	1718979
Henry's Law Constant	7.5×10^-1 mol/(m³Pa) at 25℃, Brockbank (2013)
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey	IWTBVKIGCDZRPL-UHFFFAOYSA-N
SMILES	CCC(C)CCO
LogP	1.75
CAS DataBase Reference	589-35-5(CAS DataBase Reference)
EPA Substance Registry System	3-Methyl-1-pentanol (589-35-5)

Safety Information

Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	26-36
RIDADR	UN 1987 3/PG 3
WGK Germany	2
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29051990
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Description

3-Methyl-l-pentanol has a fruity, green, slightly pungent odor.

Chemical Properties

Clear colorless liquid

Chemical Properties

3-Methyl-1-pentanol has a fruity, green, slightly pungent odor.

Occurrence

Reported found in apple, apple juice, cheese, lamb, cognac, rum, cider, sherry, fruit brandies, whiskey, grape wines, strawberries, tomatoes, baked potatoes, starfruit, plum brandy, mango, prickly pear, Bourbon vanilla, lamb’s lettuce and Roman chamomile oil

Uses

3-Methyl-1-pentanol, occurs naturally in Capsicum frutescens, the tabasco pepper. It is also an intermediate in the manufacture of other chemicals, such as novel branched alkyl carbamates, having anticonvulsant activity.

Definition

ChEBI: A primary alcohol that is pentanol substituted by a methyl group at position 3.

Aroma threshold values

Detection: 830 ppb to 1.2 ppm

Taste threshold values

Taste characteristics at 30 ppm: whiskey, green, apple with an alcoholic nuance

General Description

3-Methyl-1-pentanol is a fragrance ingredient generally used in shampoos, cosmetics, toilet soaps, and non-cosmetic products like detergents and household cleaners. It is naturally found inthe Mangiferaspecies of the mango plant.

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