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2′-Hydroxyacetophenone

2′-Hydroxyacetophenone structure

CAS No:
118-93-4
Formula:
C8H8O2
Chemical Name:
2′-Hydroxyacetophenone
Synonyms:
Ethanone,1-(2-hydroxyphenyl)-;Acetophenone,2′-hydroxy-;Acetophenone,o-hydroxy-;1-(2-Hydroxyphenyl)ethanone;o-Hydroxyacetophenone;2′-Hydroxyacetophenone;o-Acetylphenol;2-Acetylphenol;o-Hydroxyphenyl methyl ketone;2-Hydroxyphenyl methyl ketone;2-Hydroxyacetophenone;Methyl 2-hydroxyphenyl ketone;2-Hydroxyphenylethanone;NSC 16933;NSC 44452;NSC 83568;NSC 9263;o-Hydroxyhypnone;1-(6-Hydroxyphenyl)ethanone;1-(2-Hydroxyphenyl)ethan-1-one;1-Acetyl-2-hydroxybenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Colorless to cream amber crystalline powder; sweet powdery hawthorn guaiacol vanilla acetophenone almond aroma. light yellow to pale brownO-Anisaldehyde (also 2-methoxybenzaldehyde) is found in cassia oil, cinnamon bark, and cinnamon bark oil. It is a clear colorless liquid with a strong aroma.

Liquid

2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols.

2′-Hydroxyacetophenone Basic Attributes

Molecular Weight：

136.15

Exact Mass：

136.15

EC Number：

204-288-0

UNII：

3E533Z76W0

NSC Number：

44452|16933|9263

DSSTox ID：

DTXSID20662003

HScode：

29145000

Characteristics

PSA：

37.3

XLogP3：

1.9

Appearance：

Liquid

Density：

1.1326 g/cm³ @ Temp: 20 °C

Melting Point：

5 °C

Boiling Point：

218 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.558(lit.)

Water Solubility：

H2O: 0.2g/l;slightly soluble

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.

Vapor Pressure：

~0.2 mm Hg ( 20 °C)

Vapor Density：

4.7 (vs air)

Toxicity：

LD50 orally in Rabbit: 2127 mg/kg LD50 dermal Rat > 2000 mg/kg

Explosive limit：

0.98-11.8%(V)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/38

safety instructions：

26-36-37/39

RTECS Number：

AM8575000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (34.72%): 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 231 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

2'-Hydroxyacetophenone is a known human metabolite of 2'-methoxyacetophenone.

MeSH Entry Terms：

1-(2-hydroxyphenyl)ethanone

2′-Hydroxyacetophenone Use and Manufacturing

Uses

2’Hydroxyacetophenone is a phenolic compound used in the synthesis of potential anti-myobacterial and anticancer agents.

Manufacturing Info：

Ethanone, 1-(2-hydroxyphenyl)-: ACTIVE

Computed Properties

Molecular Weight:136.15
XLogP3:1.9
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

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