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Merck

W269301

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
Council of Europe no.:
263
UNSPSC Code:
12164502
PubChem Substance ID:
24901259
Flavis number:
9.038
NACRES:
NA.21
Beilstein/REAXYS Number:
1740743
MDL number:
MFCD00009391
Organoleptic:
apple; ethereal
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCC(=O)OC

InChI

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

InChI key

UUIQMZJEGPQKFD-UHFFFAOYSA-N

biological source

synthetic

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 & 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

Quality Level

300, 400

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Related Categories

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

53.0 °F

flash_point_c

11.67 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6304
SHBQ0382
SHBQ2446
STBK4224
STBJ9901

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S H Sterri et al.
Biochemical pharmacology, 34(15), 2779-2785 (1985-08-01)
A radiochemical assay for carboxylesterase based on the substrate methyl[1-14C]butyrate is described. The blank value corresponds to 1.04 micrograms (liver)-1.44 mg (plasma) of tissues with the highest and lowest activity respectively, which constitute the sensitivity of the method. The hydrolysis
D Roy et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 15(17), 3839-3847 (2014-09-10)
An easily dispersible multiwalled carbon nanotube (MWCNT) derivative is prepared, and provides a platform for the synthesis of the phenyl butyric acid methyl ester (PCBM) analog. The carbene addition reaction of MWCNTs makes derivatives that are less soluble in organic
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
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
Aleksandr Fridlyand et al.
The journal of physical chemistry. A, 119(28), 7559-7577 (2015-02-25)
The high pressure and temperature oxidation of methyl trans-2-nonenoate, methyl trans-3-nonenoate, 1-octene, and trans-2-octene are investigated experimentally to probe the influence of the double bond position on the chemical kinetics of long esters and alkenes. Single pulse shock tube experiments
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