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Merck
CN

W317209

Hexyl isobutyrate

≥98%, FG

Synonym(s):

Hexyl-2-methylpropionate

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About This Item

Linear Formula:
(CH3)2CHCO2(CH2)5CH3
CAS Number:
2349-07-7
Molecular Weight:
172.26
FEMA Number:
3172
Council of Europe no.:
646
UNSPSC Code:
12164502
PubChem Substance ID:
24901513
Flavis number:
9.478
EC Number:
219-075-8
NACRES:
NA.21
MDL number:
MFCD00027297

Key Documents

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SMILES string

CCCCCCOC(=O)C(C)C

InChI key

CYHBDKTZDLSRMY-UHFFFAOYSA-N

InChI

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

biological source

synthetic

grade

FG, Halal, Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002

assay

≥98%

refractive index

n20/D 1.413 (lit.)

solubility

H2O: insoluble

density

0.86 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; fruity; pear; sweet

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ1801
STBH5033
STBH8614
STBG3505V
MKBW1992V

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Zhilin Zhang et al.
Journal of insect science (Online), 14 (2014-12-21)
The morphological structure of the metathoracic scent glands (MTGs) in Adelphocoris suturalis was observed by utilizing scanning electron microscope (SEM). Also, the secretions of MTGs in male and female were analyzed by using gas chromatography-mass spectrometry (GC-MS). The result showed

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