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Key Documents

W280704

Sigma-Aldrich

Octyl butyrate

≥98%, FG

Synonym(s):

Octyl butanoate

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About This Item

Linear Formula:
CH3CH2CH2CO2(CH2)7CH3
CAS Number:
Molecular Weight:
200.32
FEMA Number:
2807
EC Number:
Council of Europe no.:
272
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.046
NACRES:
NA.21

biological source

synthetic

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 172.515

Assay

≥98%

refractive index

n20/D 1.425 (lit.)

bp

224 °C (lit.)

mp

−56 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

creamy; green; oily; fruity; waxy; sweet

SMILES string

CCCCCCCCOC(=O)CCC

InChI

1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3

InChI key

PWLNAUNEAKQYLH-UHFFFAOYSA-N

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General description

Octyl butyrate is one of the major constituents of the essential oils of Heracleum sphondylium subsp. Ternatum. It occurs naturally in the mature fruit of wild parsnip and muskmelon. Octyl butyrate is also a promising candidate as a lure for yellowjackets.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

217.4 °F - closed cup

Flash Point(C)

103.00 °C - closed cup

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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Characterization of some volatile components of muskmelon fruit.
Kemp TR, et al.
Phytochemistry, 10(8), 1925-1928 (1971)
Composition and biological activities of hogweed [Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt] essential oil and its main components octyl acetate and octyl butyrate.
Maggi F, et al.
Natural product research, 28(17), 1354-1363 (2014)
Octyl butyrate, an effective attractant for the yellowjacket.
Davis HG, et al.
Environmental Entomology, 1(5), 673-674 (1972)
M J Carroll et al.
The Journal of heredity, 91(1), 68-71 (2000-03-30)
The aliphatic esters octyl acetate and octyl butyrate occur as major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). We determined phenotypic variation and narrow-sense heritabilities of these octyl esters in wild

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