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Merck
CN

W350516

3-Methylbutyl 2-methylbutanoate

natural, 70% 3-methylbutyl 2-methylbutanoate basis

Synonym(s):

Isoamyl 2-methylbutyrate

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About This Item

Empirical Formula (Hill Notation):
C10H20O2
CAS Number:
Molecular Weight:
172.26
FEMA Number:
3505
Council of Europe no.:
10721
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
248-581-1
Flavis number:
9.530
MDL number:
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SMILES string

CCC(C)C(=O)OCCC(C)C

InChI

1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3

InChI key

VGIRHYHLQKDEPP-UHFFFAOYSA-N

grade

Halal, Kosher, natural

assay

70% 3-methylbutyl 2-methylbutanoate basis

impurities

30% 3-methylbutyl 3-methylbutanoate

refractive index

n20/D 1.413 (lit.)

bp

41 °C/1.5 mmHg (lit.)

density

0.857 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; sweet

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pictograms

Environment

hcodes

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

143.6 °F - closed cup

flash_point_c

62 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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