邻羟基苯乙酮

Description

2'-Hydroxyacetophenone is identified by CAS 118-93-4, molecular formula C8H8O2 and molecular weight 136.05 g/mol. UNII 3E533Z76W0; ChEBI 145716; InChIKey JECYUBVRTQDVAT-UHFFFAOYSA-N. Boiling Point: 213.00 °C. @ 717.00 mm Hg; Boiling Point: 215-220 °C; Melting Point: 4 - 6 °C.

Identification

CAS Registry Number	118-93-4
PubChem CID	8375
Molecular formula	C8H8O2
Molecular weight	136.05 g/mol
IUPAC name	1-(2-hydroxyphenyl)ethanone
InChIKey	JECYUBVRTQDVAT-UHFFFAOYSA-N
UNII (FDA)	3E533Z76W0
ChEBI ID	CHEBI:145716
FEMA number	3548
JECFA number	727

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	213.00 °C. @ 717.00 mm Hg
Boiling Point	215-220 °C
Melting Point	4 - 6 °C
Density	1.127-1.133
Vapor Pressure	0.00748 [mmHg]
LogP	1.92
LogP	1.88
Refractive Index	1.556-1.560

Physical description & handling notes

• Liquid
• Clear light yellow liquid; [Sigma-Aldrich MSDS]
• Colourless liquid
• slightly soluble in water; soluble in fat
• miscible (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Herb No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	70.5% (177 / 251)

GHS Hazard Classification

GHS notification summary	70.5% (177 / 251)
Reported hazard statements	H302 (10.4%), H315 (19.9%), H319 (19.9%), H335 (19.5%)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• All Other Basic Organic Chemical Manufacturing
• Ethanone, 1-(2-hydroxyphenyl)-: ACTIVE
• 2'-Hydroxyacetophenone is a known human metabolite of 2'-methoxyacetophenone.

Synonyms

2'-Hydroxyacetophenone; 118-93-4; 1-(2-Hydroxyphenyl)ethanone; 2-Acetylphenol; O-HYDROXYACETOPHENONE; 1-(2-Hydroxyphenyl)Ethan-1-One; o-Hydroxyphenyl methyl ketone; 2-Hydroxyphenyl methyl ketone; Ethanone, 1-(2-hydroxyphenyl)-; Methyl 2-hydroxyphenyl ketone; FEMA No. 3548; DTXSID7040285; NSC-16933; 3E533Z76W0; DTXCID5020285; CHEBI:145716

Frequently Asked Questions

What are the CAS number and molecular formula of 2'-Hydroxyacetophenone?

CAS 118-93-4; molecular formula C8H8O2; molecular weight 136.05 g/mol.

What other names is 2'-Hydroxyacetophenone known by?

2'-Hydroxyacetophenone, 118-93-4, 1-(2-Hydroxyphenyl)ethanone, 2-Acetylphenol, O-HYDROXYACETOPHENONE, 1-(2-Hydroxyphenyl)Ethan-1-One.

What is the regulatory status of 2'-Hydroxyacetophenone?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 2'-Hydroxyacetophenone classified as hazardous?

70.5% of GHS notifications report no hazard classification (177 of 251).

What are the key physical properties of 2'-Hydroxyacetophenone?

Boiling Point: 213.00 °C. @ 717.00 mm Hg; Boiling Point: 215-220 °C; Melting Point: 4 - 6 °C; Density: 1.127-1.133.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.