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2-Pentadecanone

2-Pentadecanone structure

CAS No:
2345-28-0
Formula:
C15H30O
Chemical Name:
2-Pentadecanone
Synonyms:
2-Pentadecanone;Methyl tridecyl ketone;2-Oxopentadecane;Tridecyl methyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White solid 2-Pentadecone is a nonaromatic saturated ketone.

Solid|white to waxy mass or crystalline leaves

2-Pentadecanone is a ketone.

2-Pentadecanone Basic Attributes

Molecular Weight：

226.404

Exact Mass：

226.40

EC Number：

219-064-8

UNII：

B2Q48J997N

DSSTox ID：

DTXSID6062333

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

6.3

Appearance：

Solid

Density：

0.8±0.1 g/cm3

Melting Point：

39.5 °C

Boiling Point：

294 °C

Flash Point：

83.9±12.6 °C

Refractive Index：

1.437

Water Solubility：

Soluble in toluene (almost transparency). Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Drug Information

MeSH Entry Terms：

pentadecan-2-one

2-Pentadecanone Use and Manufacturing

Manufacturing Info：

2-Pentadecanone: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:226.40
XLogP3:6.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:12
Exact Mass:226.229665576
Monoisotopic Mass:226.229665576
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes