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W269301

Sigma-Aldrich

Methyl butyrate

≥98%, FG

Synonym(s):

Butanoic acid methyl ester, Methyl butanoate

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About This Item

Linear Formula:
CH3CH2CH2COOCH3
CAS Number:
623-42-7
Molecular Weight:
102.13
FEMA Number:
2693
Beilstein:
1740743
Council of Europe no.:
263
MDL number:
MFCD00009391
UNSPSC Code:
12164502
PubChem Substance ID:
24901259
Flavis number:
9.038
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

(EU Regulation 1223/2009)
 (follows IFRA guidelines)
meets purity specifications of JECFA

reg. compliance

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

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 30 °C)

Assay

≥98%

expl. lim.

3.5 %

refractive index

n20/D 1.385 (lit.)

bp

102-103 °C (lit.)

density

0.898 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

apple; ethereal

SMILES string

CCCC(=O)OC

InChI

1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

InChI key

UUIQMZJEGPQKFD-UHFFFAOYSA-N

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Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

53.0 °F

Flash Point(C)

11.67 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A Nakagawa et al.
Journal of biochemistry, 96(3), 815-820 (1984-09-01)
Purified Pseudomonas fluorescens lipase [EC 3.1.1.3] exhibited slight activity on water-soluble esters such as methyl butyrate, and this activity was increased on addition of Brij 58 (20 oxyethylene hexadecyl ether) to the solution. This stimulating effect of Brij 58 on
T Tsujita et al.
Journal of biochemistry, 103(2), 327-331 (1988-02-01)
Carboxylesterase was purified from rat kidney in an electrophoretically homogeneous form by acetone precipitation, followed by successive chromatographies on DEAE-cellulose and hydroxyapatite and then isoelectric focusing. The purified enzyme catalyzed the hydrolyses of monoacylglycerols and short-chain triacylglycerols, such as tributyrin
Guoyi Ma et al.
Cancer chemotherapy and pharmacology, 63(4), 673-680 (2008-07-04)
Breast cancer is one of the most prevalent woman cancers. Genomic instability, accumulative mutations, and subsequent changes in intracellular signaling cascades play key roles in the development of human breast cancers. Activation of nuclear factor-kappaB (NF-kappaB) has been implicated in
C D Hull et al.
Journal of chemical ecology, 27(5), 889-906 (2001-07-27)
Single-unit electrophysiology was used to record the nerve impulses from the carbon dioxide receptors of female Queensland fruit flies, Bactroera tryoni. The receptors responded to stimulation in a phasic-tonic manner and also had a period of inhibition of the nerve
[Omega oxidation of methyl butyrate].
L SANTAMARIA et al.
Archivio di scienze biologiche, 33(5), 407-413 (1949-09-01)
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