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Safety Information

W342815

Sigma-Aldrich

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
FEMA Number:
3428
Beilstein:
1446190
EC Number:
226-456-2
MDL number:
MFCD00004545
UNSPSC Code:
12164502
PubChem Substance ID:
329830617
Flavis number:
9.522
NACRES:
NA.21
grade:
FG
Fragrance grade
Halal
Kosher
natural
food allergen:
no known allergens

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

SMILES string

CCOC(=O)CC(C)O

InChI

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

InChI key

OMSUIQOIVADKIM-UHFFFAOYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

170.6 °F - closed cup

Flash Point(C)

77 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W342815-VAR-K:
W342815-BULK-K:
W342815-250G-K:
W342815-BULK:
W342815-1KG-K:
W342815-250G:4548173977874
W342815-SAMPLE:
W342815-1KG:4548173977867
W342815-VAR:
W342815-SAMPLE-K:

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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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