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Key Documents

W363200

Sigma-Aldrich

Phenethyl 2-methylbutyrate

≥95%, FG

Synonym(s):

rose butanoate, Benzyl carbinyl ethyl methyl acetate

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About This Item

Linear Formula:
C2H5CH(CH3)CO2CH2CH2C6H5
CAS Number:
Molecular Weight:
206.28
FEMA Number:
3632
EC Number:
Council of Europe no.:
10883
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.538
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 172.515

Assay

≥95%

refractive index

n20/D 1.486 (lit.)

density

0.975 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

green; floral; waxy; fruity; sweet

SMILES string

CCC(C)C(=O)OCCc1ccccc1

InChI

1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

InChI key

KVKKTLBBYFABAZ-UHFFFAOYSA-N

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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