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Key Documents

W322202

Sigma-Aldrich

Phenethyl octanoate

≥99%

Synonym(s):

Phenethyl caprylate

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About This Item

Linear Formula:
CH3(CH2)6CO2CH2CH2
CAS Number:
Molecular Weight:
248.36
FEMA Number:
3222
EC Number:
Council of Europe no.:
10884
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.262
NACRES:
NA.21

biological source

synthetic

grade

Halal

agency

meets purity specifications of JECFA

assay

≥99%

refractive index

n20/D 1.483 (lit.)

bp

295-296 °C (lit.)

density

0.947 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

waxy; fruity; wine-like

SMILES string

CCCCCCCC(=O)OCCc1ccccc1

InChI

1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3

InChI key

ASETYIALRXDVDF-UHFFFAOYSA-N

Disclaimer

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

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves


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