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α-(2-Methylpropyl)benzeneethanol

α-(2-Methylpropyl)benzeneethanol structure

CAS No:
7779-78-4
Formula:
C12H18O
Chemical Name:
α-(2-Methylpropyl)benzeneethanol
Synonyms:
Benzeneethanol,α-(2-methylpropyl)-;Phenethyl alcohol,α-isobutyl-;2-Pentanol,4-methyl-1-phenyl-;α-(2-Methylpropyl)benzeneethanol;Isobutyl benzyl carbinol;α-Isobutylphenethyl alcohol;4-Methyl-1-phenylpentan-2-ol
Categories:
Cosmetic Ingredient > Perfuming

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Description

α-Isobutylphenethyl alcohol has a green floral, fresh, slightly sweet aroma.

colourless slightly oily liquid with a green-floral, fresh, slightly sweet odour

α-(2-Methylpropyl)benzeneethanol Basic Attributes

Molecular Weight：

178.27

Exact Mass：

178.27

EC Number：

231-939-6

DSSTox ID：

DTXSID8047717

Characteristics

PSA：

20.2

XLogP3：

3.5

Appearance：

colourless slightly oily liquid with a green-floral, fresh, slightly sweet odour

Density：

0.955 g/cm3

Melting Point：

129 °C @ Solvent: Benzene

Boiling Point：

198.3°C at 760 mmHg

Flash Point：

79.4ºC

Refractive Index：

1.509

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36-52/53

safety instructions：

S26-S36

RTECS Number：

DA0513300

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 159 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-methyl-1-phenylpentan-2-ol

α-(2-Methylpropyl)benzeneethanol Use and Manufacturing

Manufacturing Info：

Benzeneethanol, .alpha.-(2-methylpropyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:178.27
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:125
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α-(2-Methylpropyl)benzeneethanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

α-(2-Methylpropyl)benzeneethanol

SDS

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