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Merck
CN

W349801

cis-3-Hexenyl 3-methylbutanoate

≥97%, FCC, FG

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About This Item

Linear Formula:
(CH3)2CHCH2CO2CH2CH2CH=CHC2H5
CAS Number:
35154-45-1
Molecular Weight:
184.28
FEMA Number:
3498
Council of Europe no.:
2344
UNSPSC Code:
12164502
PubChem Substance ID:
24901738
Flavis number:
09.505
EC Number:
252-404-3
NACRES:
NA.21
MDL number:
MFCD00036533
Organoleptic:
apple; green
Grade:
FG
Halal
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

cis-3-Hexenyl 3-methylbutanoate, ≥97%, FCC, FG

SMILES string

CC\C=C/CCOC(=O)CC(C)C

InChI

1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

InChI key

AIQLNKITFBJPFO-WAYWQWQTSA-N

biological source

synthetic

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC

assay

≥97%

refractive index

n20/D 1.432 (lit.)

bp

98 °C/15 mmHg (lit.)

density

0.874 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

Quality Level

300
400

Related Categories

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

140.0 °F - closed cup

flash_point_c

60 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBR3931
SHBQ9930
SHBP2515
SHBN0721
SHBM8072

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Martin Heil et al.
Journal of chemical ecology, 34(5), 601-604 (2008-04-15)
Herbivore-induced volatile organic compounds (VOCs) are widely appreciated as an indirect defense mechanism since carnivorous arthropods use VOCs as cues for host localization and then attack herbivores. Another function of VOCs is plant-plant signaling. That VOCs elicit defensive responses in
Riikka Rinnan et al.
Frontiers in microbiology, 4, 224-224 (2013-08-24)
Biogenic volatile organic compounds (BVOCs) affect both atmospheric processes and ecological interactions. Our primary aim was to differentiate between BVOC emissions from above- and belowground plant parts and heath soil outside the growing season. The second aim was to assess

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