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Merck
CN

W392901

cis-3-Hexenyl isobutyrate

≥98%, stabilized, FG

Synonym(s):

(Z)-3-hexen-1-yl isobutyrate

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About This Item

Linear Formula:
(CH3)2CHCO2CH2CH=CHCH2CH2CH3
CAS Number:
41519-23-7
Molecular Weight:
170.25
FEMA Number:
3929
UNSPSC Code:
12164502
PubChem Substance ID:
24901941
Flavis number:
9.563
EC Number:
255-424-0
NACRES:
NA.21
MDL number:
MFCD00036529
Organoleptic:
apple; green; fruity
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

[H]\C(CC)=C(/[H])CCOC(=O)C(C)C

InChI

1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-

InChI key

OSMAJVWUIUORGC-WAYWQWQTSA-N

biological source

synthetic

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002

assay

≥98%

contains

0.01-0.20% α-tocopherol, synthetic as stabilizer

refractive index

n20/D 1.428 (lit.)

bp

92 °C/20 mmHg (lit.)

density

0.878 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

apple; green; fruity

Quality Level

300, 400

Related Categories

General description

Natural occurrence: Guava, spearmint, Chinese quince.

Biochem/physiol Actions

Odor at 1%
Taste at 1-5 ppm

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315

Hazard Classifications

Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

185.0 °F - closed cup

flash_point_c

85 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP4961
SHBP2476
SHBN6311
SHBN6312
SHBL9413

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Mosciano, G.
Perfumer & Flavorist, 25, 78-78 (2000)

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