邻氨基苯乙酮

Description

o-Amino acetophenone is identified by CAS 551-93-9, molecular formula C8H9NO and molecular weight 135.07 g/mol. UNII 69Y77091BC; ChEBI 91110; InChIKey GTDQGKWDWVUKTI-UHFFFAOYSA-N. Boiling Point: 85.00 to 90.00 °C. @ 0.50 mm Hg; Boiling Point: 85-90 °C (0.5 mm Hg); Melting Point: 20 °C.

Identification

CAS Registry Number	551-93-9
PubChem CID	11086
Molecular formula	C8H9NO
Molecular weight	135.07 g/mol
IUPAC name	1-(2-aminophenyl)ethanone
InChIKey	GTDQGKWDWVUKTI-UHFFFAOYSA-N
UNII (FDA)	69Y77091BC
ChEBI ID	CHEBI:91110
FEMA number	3906
JECFA number	2043

Computed Descriptors

Molecular Weight	135.16
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.068413911
Monoisotopic Mass	135.068413911
Topological Polar Surface Area	43.1
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	85.00 to 90.00 °C. @ 0.50 mm Hg
Boiling Point	85-90 °C (0.5 mm Hg)
Melting Point	20 °C
Density	1.115-1.121
Vapor Pressure	0.00989 [mmHg]
LogP	1.63
LogP	1.25
Refractive Index	1.612-1.619

Physical description & handling notes

• Yellow liquid or solid; mp = 20 deg C; [HSDB] Yellow liquid; [MSDSonline]
• Liquid
• Light yellow to dark greenish-yellow liquid; Fruity, spicy animalistic aroma
• YELLOW OILY LIQUID
• YELLOW CRYSTALS
• BP 250-252 °C @ 760 MM HG (SOME DECOMP)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Flower, Foxy, Grape No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	56.9% (78 / 137)

GHS Hazard Classification

GHS notification summary	56.9% (78 / 137)
Reported hazard statements	H302 (13.9%), H315 (35%), H319 (35%), H335 (31.4%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Ethanone, 1-(2-aminophenyl)-: ACTIVE
• 2-Aminoacetophenone (Class: Other Substances, Added Date: 01-2021)
• YIELDS 2-CARBOXAMIDO-4-METHYLQUINAZOLINE, 2-HYDROXYMETHYL-4-METHYLQUINAZOLINE, & 4-METHYLQUINAZOLINE IN PSEUDOMONAS. /FROM TABLE/
• 2-AMINO-3-HYDROXYACETOPHENONE WAS ISOLATED FROM URINE OF RATS GIVEN 15 MG 2-AMINOACETOPHENONE/KG/DAY FOR 4 DAYS & FROM THE SUPERNATANT OF CULTURES OF RAT LIVER MICROSOMES INCUBATED WITH 2-AMINOACETOPHENONE FOR 2 HR AT 37 °C.

Synonyms

2'-Aminoacetophenone; 551-93-9; 1-(2-Aminophenyl)ethanone; 2-Acetylaniline; O-AMINOACETOPHENONE; o-Acetylaniline; 1-(2-Aminophenyl)Ethan-1-One; o-Aminoacetylbenzene; 1-Acetyl-2-aminobenzene; Acetophenone, 2'-amino-; Ethanone, 1-(2-aminophenyl)-; ortho-aminoacetophenone; 2-acetylphenylamine; DTXSID4052213; NSC-8820; 69Y77091BC

Frequently Asked Questions

What are the CAS number and molecular formula of o-Amino acetophenone?

CAS 551-93-9; molecular formula C8H9NO; molecular weight 135.07 g/mol.

What other names is o-Amino acetophenone known by?

2'-Aminoacetophenone, 551-93-9, 1-(2-Aminophenyl)ethanone, 2-Acetylaniline, O-AMINOACETOPHENONE, o-Acetylaniline.

What is the regulatory status of o-Amino acetophenone?

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

Is o-Amino acetophenone classified as hazardous?

56.9% of GHS notifications report no hazard classification (78 of 137).

What are the key physical properties of o-Amino acetophenone?

Boiling Point: 85.00 to 90.00 °C. @ 0.50 mm Hg; Boiling Point: 85-90 °C (0.5 mm Hg); Melting Point: 20 °C; Density: 1.115-1.121.

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.