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W220841

Sigma-Aldrich

α-Isobutylphenethyl alcohol

98%

Synonym(s):

4-Methyl-1-phenyl-2-pentanol

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About This Item

Empirical Formula (Hill Notation):
C12H18O
CAS Number:
7779-78-4
Molecular Weight:
178.27
FEMA Number:
2208
EC Number:
231-939-6
Council of Europe no.:
2031c
MDL number:
MFCD00209515
UNSPSC Code:
12164502
PubChem Substance ID:
24900919
Flavis number:
2.065
NACRES:
NA.21

biological source

synthetic

Agency

meets purity specifications of JECFA

reg. compliance

FDA 21 CFR 172.515

Assay

98%

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; floral; herbaceous

SMILES string

CC(C)CC(O)Cc1ccccc1

InChI

1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

InChI key

IUADYGVMSDKSMB-UHFFFAOYSA-N

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Biochem/physiol Actions

Taste at 10 ppm

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Clement Yedjou et al.
International journal of environmental research and public health, 5(5), 337-341 (2009-01-20)
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J Scognamiglio et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S195-S198 (2011-11-01)
A toxicologic and dermatologic review of α-isobutylphenethyl alcohol when used as a fragrance ingredient is presented. α-Isobutylphenethyl alcohol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a secondary alcohol. The AAAs are a structurally diverse
Ei Kinai et al.
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