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W354503

Sigma-Aldrich

Ethyl 3-hydroxyhexanoate

≥98%, FG

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Synonym(s):
3-hydroxyhexanoic acid ethyl ester, Ethyl 3-hydroxy caproate
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

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

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.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

grape; green; citrus; fruity; sweet

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

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Hexyl hexanoate ≥97%, FG

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Ethyl octanoate ≥98%, FCC, FG

Sigma-Aldrich

W244902

Ethyl octanoate

Ethyl butyrate natural, ≥98%, FCC, FG

Sigma-Aldrich

W242713

Ethyl butyrate

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

assay

≥98%

assay

≥97%

assay

≥98%

assay

≥98%

refractive index

n20/D 1.428 (lit.)

refractive index

n20/D 1.424 (lit.)

refractive index

n20/D 1.417 (lit.)

refractive index

n20/D 1.392 (lit.)

bp

90-92 °C/14 mmHg (lit.)

bp

245-246 °C (lit.)

bp

206-208 °C (lit.)

bp

120 °C (lit.)

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.

Storage Class Code

10 - Combustible liquids

WGK

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

Certificates of Analysis (COA)

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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)
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)
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)

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