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Key Documents

W343218

Sigma-Aldrich

Isobutyl trans-2-butenoate

≥98%, FCC, FG

Synonym(s):

2-Methylpropyl (E)-but-2-enoate, Isobutyl (E)-2-butenoate, Isobutyl crotonate

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About This Item

Linear Formula:
CH3CH=CHCO2CH2CH(CH3)2
CAS Number:
Molecular Weight:
142.20
FEMA Number:
3432
Council of Europe no.:
10706
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.273
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 100

assay

≥98%

refractive index

n20/D 1.428 (lit.)

bp

171 °C (lit.)

density

0.89 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity; rum

storage temp.

2-8°C

SMILES string

[H]\C(C)=C(\[H])C(=O)OCC(C)C

InChI

1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+

InChI key

XDOWKOALJBOBBL-SNAWJCMRSA-N

General description

Isobutyl trans-2-butenoate is a flavoring agent used in the food industry.

pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup

ppe

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


Certificates of Analysis (COA)

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