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o-Amino acetophenone

CAS 551-93-9C8H9NOMW 135.07 g/mol

o-Amino acetophenone (CAS 551-93-9) — formula C8H9NO, molecular weight 135.07 g/mol.

Specifications

CAS Number551-93-9
Molecular FormulaC8H9NO
Molecular Weight135.07 g/mol
Melting Point20 °C
Boiling Point85.00 to 90.00 °C. @ 0.50 mm Hg
LogP1.63

Purchase Profile

What this product is

o-Amino acetophenone is a chemical compound with CAS registry number 551-93-9 and molecular formula C8H9NO (molecular weight 135.07 g/mol).

Identification

CAS number: 551-93-9

Its molecular formula C8H9NO comprises 8 C, 9 H, 1 N, 1 O atoms.

Also known as: o-Amino acetophenone · 2-AMINOACETOPHENONE · 1-(2-Aminophenyl)-ethanone

Frequently Asked Questions

What is the CAS number of o-Amino acetophenone?

The CAS registry number of o-Amino acetophenone is 551-93-9.

What is the molecular formula and molecular weight of o-Amino acetophenone?

Molecular formula C8H9NO, molecular weight 135.07 g/mol.

What other names is o-Amino acetophenone known by?

It is also registered under: o-Amino acetophenone, 2-AMINOACETOPHENONE, 1-(2-Aminophenyl)-ethanone.

PubChem Public Data

Public-database records for o-Amino acetophenone (CAS 551-93-9), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary56.9% (78 / 137)
Reported hazard statementsH302 (13.9%), H315 (35%), H319 (35%), H335 (31.4%)

This chemical does not meet GHS hazard criteria for 56.9% (78 of 137) of all reports.

H302 (13.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Regulatory listings

Regulatory & Food ContactEU 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 summary56.9% (78 / 137)

Physical description and 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)

Reported physical properties

沸点85.00 to 90.00 °C. @ 0.50 mm Hg
沸点85-90 °C (0.5 mm Hg)
熔点20 °C
密度1.115-1.121
蒸气压0.00989 [mmHg]
LogP1.63
LogP1.25
折射率1.612-1.619

How this substance is indexed

CAS Registry Number551-93-9
PubChem CID11086
分子式C8H9NO
分子量135.07 g/mol
IUPAC 名称1-(2-aminophenyl)ethanone
InChIKeyGTDQGKWDWVUKTI-UHFFFAOYSA-N
UNII(FDA)69Y77091BC
ChEBI 编号CHEBI:91110
FEMA 编号3906
JECFA 编号2043

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.

Names this substance appears under

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

Computed molecular descriptors

分子量135.16
XLogP31.6
氢键供体数1
氢键受体数2
可旋转键数1
精确质量135.068413911
单同位素质量135.068413911
拓扑极性表面积43.1
重原子数10
形式电荷0

Database abstract

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. 沸点: 85.00 to 90.00 °C. @ 0.50 mm Hg; 沸点: 85-90 °C (0.5 mm Hg); 熔点: 20 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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