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3-Hydroxyacetophenone

3-Hydroxyacetophenone structure

CAS No:
121-71-1
Formula:
C8H8O2
Chemical Name:
3-Hydroxyacetophenone
Synonyms:
Ethanone,1-(3-hydroxyphenyl)-;Acetophenone,3′-hydroxy-;1-(3-Hydroxyphenyl)ethanone;m-Hydroxyacetophenone;m-Acetylphenol;3-Hydroxyacetophenone;3-Acetylphenol;3′-Hydroxyacetophenone;3-Hydroxyphenylethanone;NSC 2440;A 0104
Categories:
Pharmaceutical Intermediates > Sleep Disorder Agents

Description

beige-brown crystalline powder3’-Hydroxyacetophenone is a chemical compound and it is a component of castoreum, the exudate from the castor sacs of the mature beaver. It is used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

3-Hydroxyacetophenone Basic Attributes

Molecular Weight：

136.14800

Exact Mass：

136.15

EC Number：

204-494-0

UNII：

UV3GO1D90J

NSC Number：

2440

DSSTox ID：

DTXSID5059533

HScode：

2914399090

Characteristics

PSA：

37.30000

XLogP3：

1.4

Appearance：

white crystal powder

Density：

1.1

Melting Point：

96 °C

Boiling Point：

296 °C

Flash Point：

296ºC

Refractive Index：

1.534

Water Solubility：

soluble in alcohol. Insoluble in water.

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (30.71%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 140 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3'-hydroxyacetophenone

3-Hydroxyacetophenone Use and Manufacturing

Uses

3’Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

Manufacturing Info：

Ethanone, 1-(3-hydroxyphenyl)-: ACTIVE

Computed Properties

Molecular Weight:136.15
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

3-Hydroxybenzaldehyde

Acetic acid

Downstream Products

Resorcinol

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