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Key Documents

W515302

Sigma-Aldrich

2-Ethylhexanoic acid

≥99%

Synonym(s):

2-Ethylcaproic acid

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About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CO2H
CAS Number:
Molecular Weight:
144.21
Beilstein/REAXYS Number:
1750468
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
8.078
NACRES:
NA.21
organoleptic:
cucumber
biological source:
synthetic
food allergen:
no known allergens

biological source

synthetic

Quality Level

vapor density

4.98 (vs air)

vapor pressure

<0.01 mmHg ( 20 °C)
10 mmHg ( 115 °C)

assay

≥99%

autoignition temp.

699 °F

expl. lim.

1.04 %, 135 °F
8.64 %, 188 °F

refractive index

n20/D 1.425 (lit.)

bp

228 °C (lit.)

density

0.903 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cucumber

SMILES string

CCCCC(CC)C(O)=O

InChI

1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChI key

OBETXYAYXDNJHR-UHFFFAOYSA-N

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Related Categories

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

pictograms

Health hazard

signalword

Danger

hcodes

Hazard Classifications

Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

237.2 °F - closed cup

flash_point_c

114 °C - closed cup

ppe

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


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