2-Acetylbenzofuran

HCID 15435CAS 1646-26-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cc2ccccc2o1
InChIKey
YUTFQTAITWWGFH-UHFFFAOYSA-N
Molecular formula
C10H8O2
Average molar mass
160.17 g/mol
Monoisotopic mass
160.0524295

Overview

structure in first source

Names & identifiers

Preferred name
2-Acetylbenzofuran
IUPAC
1-(1-benzofuran-2-yl)ethanone
English name
2-Acetylbenzofuran
Molecular formula
C10H8O2
Molecular weight
160.17

Names & synonyms

2-Acetylbenzofuran1646-26-02-AcetylcoumaroneEthanone, 1-(2-benzofuranyl)-2-Benzofuranyl methyl ketoneacetylbenzofuran1-(2-Benzofuranyl)ethanoneBenzo(b)furan-2-yl methyl ketoneKETONE, 2-BENZOFURANYL METHYLA1FJQ7D0K3NSC-23974NSC-28904
Show more names
Coumarone1-(Benzofuran-2-yl)ethan-1-onetonka ketone2-BenzofuranyL2-ACETYLBENZO[B]FURAN1-(1-BENZOFURAN-2-YL)ETHANONEAKOS BBS-00004551
COUMARONE 600303DTXSID3061845RefChem:84995DTXCID1035288216-706-91-(benzofuran-2-yl)ethanone2-AcetylcumaroneBenzofuran-2-yl methyl ketone

Database identifiers

CAS
1646-26-0
PubChem CID
15435
DTXSID
DTXSID3061845
ChEMBL
CHEMBL561390
UNII
A1FJQ7D0K3
EC Number
216-706-9
Nikkaji
J71.201I

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

FragrancesFragrance Ingredient (1-(2-Benzofuranyl)ethanone) -> IFRA transparency List
LogP2.15

Physicochemical properties

Melting point
70 · 70-72 °C(lit.)
Boiling point
110 · 110-113 °C3 mm Hg(lit.)
Density
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
vapor pressure
0.26 Pa · 0.26Pa at 25℃
refractive index
1.53 · 1.5300 (estimate)
Flash point
110 °C · >110°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanone, 1-(2-benzofuranyl)-

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22717

Ethanone, 1-(2-benzofuranyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationNC Assessments - Ethanone, 1-(2-benzofuranyl)-: Health and Environment
Hazard Classes and CategoriesSkin Sens. 1 (99.1%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
OB1203000
hs_code
29329985
Toxicity
mouse,LD50,intraperitoneal,1200mg/kg (1200mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(2-benzofuranyl)-: ACTIVE
Applications · 3 items

Uses2-Acetylbenzo[b]furan is used as a fine chemical intermediate.

Uses2-Benzofuranyl methyl ketone ( 2-Acetylbenzofuran) has been used to synthesize many benzofuran derivatives. It is also used to prepare fluorinated chalcones.

General DescriptionMicrowave assisted Claisen-Schmidt condensation of 2-acetylbenzofuran was studied.

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

29 records
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Linked notes

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