m-Acetylphenyl acetate

HCID 75563

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Basic information

CAS: 2454-35-5
Standard SMILES: CC(=O)Oc1cccc(C(C)=O)c1
InChIKey: OTHYPAMNTUGKDK-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: m-Acetylphenyl acetate
IUPAC: (3-acetylphenyl) acetate
English name: 3'-Acetoxyacetophenone
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

3-acetylphenyl acetate2454-35-53'-Acetoxyacetophenonem-Acetylphenyl acetateEthanone, 1-[3-(acetyloxy)phenyl]-1WC3FS93QLEINECS 219-524-8Ethanone, 1-(3-(acetyloxy)phenyl)-NSC 174054NSC-1740541-[3-(acetyloxy)phenyl]ethanoneDTXSID20179287

Show more names

3-AAPm-AcetylphenylacetatM-ACETOXYACETOPHENONE3-Acetoxyacetophenone,99%1-Acetyl-3-acetoxybenzene1-Acetoxy-3-acetylbenzene

1-(3-(ACETYLOXY)PHENYL)ETHANONEACETOPHENONE, 3'-HYDROXY-, ACETATERefChem:800338DTXCID50101778219-524-8(3-acetylphenyl) acetate3-AcetoxyacetophenoneMFCD00017227

Database identifiers

CAS: 2454-35-5
PubChem CID: 75563
DTXSID: DTXSID20179287
UNII: 1WC3FS93QL
EC Number: 219-524-8
Nikkaji: J33.498G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 210

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 46 °C · 46 °C
Boiling point: 147 °C · 147 °C / 9mmHg
Density: 1.123 · 1.123±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow
InChI: InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3
InChIKey: OTHYPAMNTUGKDK-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(OC(C)=O)=C1)C
LogP: 1.4 at · 1.4 at 20℃
CAS DataBase Reference: 2454 · 2454-35-5(CAS DataBase Reference)
FDA UNII: 1 WC3FS93QL · 1WC3FS93QL
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2918.3 · 2918.30.3000
REACH Registrations: Inactive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: m-acetylphenyl acetate (EC: 219-524-8)

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

hs_code: 2918.30.3000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
REACH Registrations: Inactive
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses3-Acetylphenyl acetate (Tetramethyl thiol alcynic acid) can be used as pharmaceutical intermediates[1].

Upstream & downstream products

Downstream products

2-Bromo-3′-hydroxyacetophenone

Suppliers100 total

上海利卡斯实业有限公司19821976800 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Compound notes

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