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Merck
CN

W256803

Hexyl butyrate

≥98%, FG

Synonym(s):

Hexyl butanoate

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About This Item

Linear Formula:
CH3CH2CH2CO2(CH2)5CH3
CAS Number:
Molecular Weight:
172.26
FEMA Number:
2568
Council of Europe no.:
271
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.045
EC Number:
220-136-6
NACRES:
NA.21
MDL number:
Organoleptic:
green; waxy; fruity; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

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, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.417 (lit.)

bp

205 °C (lit.)

density

0.851 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

green; waxy; fruity; sweet

SMILES string

CCCCCCOC(=O)CCC

InChI

1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3

InChI key

XAPCMTMQBXLDBB-UHFFFAOYSA-N

General description

Hexyl butyrate occurs naturally in apples and yellow passion fruit. It is one of the main volatile chemicals released by the plant bug, Lygus hesperus and Lygus lineolaris when they are attacked or disturbed.


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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

177.8 °F - closed cup

flash_point_c

81 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)



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Production and predator-induced release of volatile chemicals by the plant bug Lygus hesperus.
Byers JA.
Journal of Chemical Ecology, 32(10), 2205-2218 (2006)
Volatile compounds released by disturbed and calm adults of the tarnished plant bug, Lygus lineolaris.
Wardle AR, et al.
Journal of Chemical Ecology, 29(4), 931-944 (2003)
Solid phase microextraction for quantitative headspace sampling of apple volatiles.
Matich AJ, et al.
Analytical Chemistry, 68(23), 4114-4118 (1996)



Global Trade Item Number

SKUGTIN
W256803-1KG-K04061837551239
W256803-20KG-K04061837551246
W256803-9KG-K04061837551253
W256803-SAMPLE-K04061837515446