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W220205

Isobutyl hexanoate

≥98%, FG

Synonym(s):

Isobutyl caproate

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About This Item

Linear Formula:
CH3(CH2)4CO2CH2CH(CH3)2
CAS Number:
105-79-3
Molecular Weight:
172.26
FEMA Number:
2202
Council of Europe no.:
314
UNSPSC Code:
12164502
PubChem Substance ID:
24900913
Flavis number:
9.064
EC Number:
203-332-6
NACRES:
NA.21
MDL number:
MFCD00048870
Organoleptic:
apple; green; pineapple; sweet
Grade:
FG, Halal
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

grade

FG, Halal

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.414 (lit.)

bp

348-350 °C (lit.)

density

0.856 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; green; pineapple; sweet

storage temp.

2-8°C

SMILES string

CCCCCC(=O)OCC(C)C

InChI

1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3

InChI key

UXUPPWPIGVTVQI-UHFFFAOYSA-N

Biochem/physiol Actions

Taste at 10 ppm

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

flash_point_f

168.8 °F - closed cup

flash_point_c

76 °C - closed cup

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