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5-methyl-2,3-hexanedione

5-methyl-2,3-hexanedione structure

CAS No:
13706-86-0
Formula:
C7H12O2
Chemical Name:
5-methyl-2,3-hexanedione
Synonyms:
2,3-Hexanedione,5-methyl-;5-Methyl-2,3-hexanedione;2-Methylhexa-4,5-dione;5-methyl-2,3-hexanedione

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Description

yellowish liquid oil with a butter odour

5-Methyl-2,3-hexanedione is an alpha-diketone.

5-methyl-2,3-hexanedione Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

EC Number：

237-241-8

UNII：

ZI95KZ32L4

DSSTox ID：

DTXSID7049215

Characteristics

PSA：

34.1 Å²

Density：

0.9135 g/cm³ @ Temp: 420 °C

Melting Point：

26.25°C (estimate)

Boiling Point：

138 °C

Refractive Index：

1.4148 (589.3 nm 20℃)

Water Solubility：

slightly soluble in water; miscible with alcohol, propylene glycol, and glycerol

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1224

hazard class code：

safety instructions：

RTECS Number：

MO3200000

GHS Classification：

|Warning|H317 (91.79%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1401 companies from 2 notifications to the ECHA C&L Inventory.

5-methyl-2,3-hexanedione Use and Manufacturing

Manufacturing Info：

2,3-Hexanedione, 5-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.17
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-methyl-2,3-hexanedione

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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