W354503

Sigma-Aldrich

Ethyl 3-hydroxyhexanoate

≥98%, FG

Linear Formula:
CH3CH2CH2CH(OH)CH2CO2C2H5
CAS Number:
Molecular Weight:
160.21
FEMA Number:
3545
EC Number:
Council of Europe no.:
4101
MDL number:
PubChem Substance ID:
Flavis number:
9.535
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

assay

≥98%

refractive index

n20/D 1.428 (lit.)

bp

90-92 °C/14 mmHg (lit.)

density

0.974 g/mL at 25 °C (lit.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

grape; green; fruity; citrus; sweet

food allergen

no known allergens

fragrance allergen

no known allergens

SMILES string

CCCC(O)CC(=O)OCC

InChI

1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3

InChI key

LYRIITRHDCNUHV-UHFFFAOYSA-N

Related Categories

General description

Ethyl 3-hydroxyhexanoate is the key volatile flavor compound of orange juice. It also occurs in pineapple, wood apple, caja fruit and tamarillo fruit.

Packaging

100 g in poly bottle
5 kg in composite drum
1 kg in aluminum bottle

Other Notes

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storage_class_code

10 - Combustible liquids

WGK Germany

WGK 3

Flash Point(F)

201.2 °F - closed cup

Flash Point(C)

94 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Volatile flavor components of wood apple (Feronia limonia) and a processed product.
MacLeod AJ & Pieris NM.
Journal of Agricultural and Food Chemistry, 29(1), 49-53 (1981)
Effect of fermentation on free and bound volatile compounds of orange juice.
Fan G, et al.
Flavour and Fragrance Journal, 24(5), 219-225 (2009)
Aroma profiles of pineapple fruit (Ananas comosus [L.] Merr.) and pineapple products.
Elss S, et al.
LWT--Food Science and Technology, 38(3), 263-274 (2005)
Identification of volatile components of caja fruit (Spondias lutea L.) and chiral analysis of 3?hydroxy aliphatic esters.
Allegrone G & Barbeni M.
Flavour and Fragrance Journal, 7(6), 337-342 (1992)
Volatile constituents from Tamarillo (Cyphomandra betacea Sendtn.) fruit.
Torrado A, et al.
Flavour and Fragrance Journal, 10(6), 349-354 (1995)
Articles
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