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Key Documents

306932

Sigma-Aldrich

3,4-Hexanedione

95%

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About This Item

Linear Formula:
CH2CH2COCOCH2CH3
CAS Number:
Molecular Weight:
114.14
Beilstein:
1700837
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

form

liquid

refractive index

n20/D 1.41 (lit.)

bp

131 °C (lit.)

density

0.939 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CCC(=O)C(=O)CC

InChI

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

InChI key

KVFQMAZOBTXCAZ-UHFFFAOYSA-N

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General description

The dermal irritation and sensitization potential of 3,4-hexanedione (used as constituents of synthetic flavoring agent) was studied using a murine model. The 3,4-hexanedione derivatives inhibited oxoglutarate transport.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

80.6 °F - closed cup

Flash Point(C)

27 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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