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Merck
CN

W342815

Ethyl 3-hydroxybutyrate

natural, FG

Synonym(s):

grape butyrate

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About This Item

Linear Formula:
CH3CH(OH)CH2COOC2H5
CAS Number:
5405-41-4
Molecular Weight:
132.16
NACRES:
NA.21
PubChem Substance ID:
329830617
UNSPSC Code:
12164502
FEMA Number:
3428
Flavis number:
9.522
EC Number:
226-456-2
MDL number:
MFCD00004545
Beilstein/REAXYS Number:
1446190
Organoleptic:
grape; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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SMILES string

CCOC(=O)CC(C)O

InChI key

OMSUIQOIVADKIM-UHFFFAOYSA-N

InChI

1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 872/2012

refractive index

n20/D 1.42 (lit.)

bp

170 °C (lit.)

density

1.017 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; sweet

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Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF2179
MKCF6963
MKCF5999
MKCD6921
MKCD3930

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Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric
Georgia Lytra et al.
Food chemistry, 194, 196-200 (2015-10-17)
Our study focused on variations in wine aroma perception and molecular composition during tasting over a period of 30min. In parallel, dynamic analytical and sensory methods were applied to study changes in the wines' molecular and aromatic evolution. Dynamic sensory

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