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α-Hydroxyacetophenone

α-Hydroxyacetophenone structure

CAS No:
582-24-1
Formula:
C8H8O2
Chemical Name:
α-Hydroxyacetophenone
Synonyms:
Ethanone,2-hydroxy-1-phenyl-;Acetophenone,2-hydroxy-;Acetophenone,α-hydroxy-;2-Hydroxy-1-phenylethanone;Benzoylcarbinol;Glycolophenone;Methanol,benzoyl-;Phenacyl alcohol;2-Hydroxyacetophenone;α-Hydroxyacetophenone;ω-Hydroxyacetophenone;(Hydroxyacetyl)benzene;Benzoylmethanol;2-Phenyl-2-oxoethanol;NSC 171232;Hydroxymethyl phenyl ketone;1-Phenyl-2-hydroxyethanone;2-Hydroxy-1-phenylethan-1-one
Categories:
Pharmaceutical Intermediates > Antiemetics

Description

slightly yellow to orange powder

2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy ketone and a monohydroxyacetophenone.

α-Hydroxyacetophenone Basic Attributes

Molecular Weight：

136.15

Exact Mass：

136.15

EC Number：

209-480-8

UNII：

DQ1N9R01IA

NSC Number：

171232

DSSTox ID：

DTXSID7060388

HScode：

2914400090

Characteristics

PSA：

37.3

XLogP3：

1.1

Density：

1.1±0.1 g/cm3

Melting Point：

90 °C

Boiling Point：

140 °C @ Press: 14 Torr

Flash Point：

100.4±12.4 °C

Refractive Index：

1.551

Water Solubility：

Soluble in water, ether, ethanol, chloroform.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-phenyl-2-hydroxyethanone

α-Hydroxyacetophenone Use and Manufacturing

Manufacturing Info：

Ethanone, 2-hydroxy-1-phenyl-: INACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:136.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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