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Hexanophenone

Hexanophenone structure

CAS No:
942-92-7
Formula:
C12H16O
Chemical Name:
Hexanophenone
Synonyms:
1-Hexanone,1-phenyl-;Hexanophenone;1-Phenyl-1-hexanone;Caprophenone;Pentyl phenyl ketone;1-Benzoylpentane;Phenyl pentyl ketone;n-Pentyl phenyl ketone;NSC 8480
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear light yellow liquid after melting

Hexanophenone Basic Attributes

Molecular Weight：

176.259

Exact Mass：

176.25

EC Number：

213-394-6

NSC Number：

8480

DSSTox ID：

DTXSID4061335

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

3.5

Density：

0.95761 g/cm³ @ Temp: 25 °C

Melting Point：

27 °C

Boiling Point：

265 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.5105(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hexanophenone Use and Manufacturing

Manufacturing Info：

1-Hexanone, 1-phenyl-: ACTIVE

Computed Properties

Molecular Weight:176.25
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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