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W255807

Sigma-Aldrich

2,3-Hexanedione

≥95%, FG

Synonym(s):
Acetyl butyryl
Linear Formula:
CH3CH2CH2COCOCH3
CAS Number:
Molecular Weight:
114.14
FEMA Number:
2558
Beilstein:
1699896
EC Number:
Council of Europe no.:
152
MDL number:
PubChem Substance ID:
Flavis number:
7.018
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

3.9 (vs air)

vapor pressure

10 mmHg ( 20 °C)

Assay

≥95%

refractive index

n20/D 1.412 (lit.)

bp

128 °C (lit.)

density

0.934 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

butter; caramel; creamy; oily; sweet

storage temp.

2-8°C

SMILES string

CCCC(=O)C(C)=O

InChI

1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

InChI key

MWVFCEVNXHTDNF-UHFFFAOYSA-N

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2,3-Hexanedione ≥95%, FG

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2,3-Hexanedione natural, 96%, FG

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2,3-Hexanedione

biological source

synthetic

biological source

synthetic

biological source

synthetic

biological source

-

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines

agency

-

agency

follows IFRA guidelines

agency

follows IFRA guidelines

vapor density

3.9 (vs air)

vapor density

-

vapor density

-

vapor density

3.9 (vs air)

assay

≥95%

assay

≥97%

assay

≥95%

assay

96%

refractive index

n20/D 1.412 (lit.)

refractive index

n20/D 1.511 (lit.)

refractive index

n20/D 1.41 (lit.)

refractive index

n20/D 1.409, n20/D 1.412 (lit.)

General description

2,3-Hexanedione is a diketone commercially used in food and fragrance industries to get a buttery-cheesy taste in different foodstuffs and fragrances. It is naturally found in coffee, beer, and fermented soya beans.

Pictograms

FlameHealth hazard

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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