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589-35-5

589-35-5 Structure

589-35-5 Structure
IdentificationMore
[Name]

3-METHYL-1-PENTANOL
[CAS]

589-35-5
[Synonyms]

3-METHYL-1-PENTANOL
3-METHYL PENTANOL
FEMA 3762
(±)-3-methyl-pentan-1-ol
2-Ethyl-4-butanol
3-Ethyl-1-butanol
3-methyl pentan-1-ol
3-methyl-1-pentano
3-methyl-pentan-1-ol
3-Methylpentan-1-ol
3-Methylpentylalcohol
3-METHYL-1-PENTANOL 99+%
3-Methyl-1-pentanol,98%
1-Pentanol, 3-methyl-
2-(1-Methylpropyl)ethanol
[EINECS(EC#)]

209-644-9
[Molecular Formula]

C6H14O
[MDL Number]

MFCD00002937
[Molecular Weight]

102.17
[MOL File]

589-35-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[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)
[FEMA ]

3762
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

138 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

15.21±0.10(Predicted)
[color ]

Clear colorless
[Specific Gravity]

0.823
[Odor]

at 100.00 %. fusel cognac wine cocoa green fruity
[biological source]

synthetic
[Odor Type]

fermented
[Water Solubility ]

4.282g/L(25 ºC)
[JECFA Number]

263
[BRN ]

1718979
[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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

2
[TSCA ]

Yes
[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
Hazard InformationBack Directory
[Description]

3-Methyl-l-pentanol has a fruity, green, slightly pungent odor.
[Chemical Properties]

3-Methyl-1-pentanol has a fruity, green, slightly pungent odor.
[Chemical Properties]

Clear colorless liquid
[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 in?the Mangifera?species of the mango plant.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1-PENTANOL(589-35-5)MS
3-METHYL-1-PENTANOL(589-35-5)1HNMR
3-METHYL-1-PENTANOL(589-35-5)13CNMR
3-METHYL-1-PENTANOL(589-35-5)IR1
3-METHYL-1-PENTANOL(589-35-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methyl-1-pentanol, 99+%(589-35-5)
[Alfa Aesar]

3-Methyl-1-pentanol, 98%(589-35-5)
[Sigma Aldrich]

589-35-5(sigmaaldrich)
[TCI AMERICA]

3-Methyl-1-pentanol,>99.0%(GC)(589-35-5)
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