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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

Quality Level

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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