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Valerophenone

Valerophenone structure

CAS No:
1009-14-9
Formula:
C11H14O
Chemical Name:
Valerophenone
Synonyms:
1-Pentanone,1-phenyl-;Valerophenone;1-Phenyl-1-pentanone;Butyl phenyl ketone;Phenyl butyl ketone;Pentanophenone;n-Butyl phenyl ketone;n-Valerophenone;NSC 58959
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquid. ChEBI: An aromatic ketone that consists of benzene substituted by a pentanoyl group.Valerophenone is an aromatic ketone. It is used as a tool in the study of various photochemical processes3. It is also an inhibitor of the enzyme carbonyl reductase1. Valerophenone is used as intermediates of liquid crystals.

Liquid

Valerophenone is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has a role as a volatile oil component and a plant metabolite.

Valerophenone Basic Attributes

Molecular Weight：

162.23

Exact Mass：

162.23

EC Number：

213-767-3

UNII：

F27Q043NT1

NSC Number：

58959

DSSTox ID：

DTXSID0061406

HScode：

29143990

Characteristics

PSA：

17.1

XLogP3：

Appearance：

Liquid

Density：

0.988 g/cm³ @ Temp: 20 °C

Melting Point：

-9.4 °C

Boiling Point：

245 °C

Flash Point：

217 °F

Refractive Index：

n 20/D 1.5143(lit.)

Water Solubility：

Insoluble in water.

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

22-24/25-36-26

Marks：

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases, plastics.

GHS Classification：

|Warning|H315 (100%): 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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

valerophenone

Valerophenone Use and Manufacturing

Uses

Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. Valerophenone is also an inhibitor of the enzyme carbonyl reductase. Intermediates of Liquid Crystals

Manufacturing Info：

1-Pentanone, 1-phenyl-: ACTIVE

Computed Properties

Molecular Weight:162.23
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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