Basic information
- CAS
6656-60-6- Standard SMILES
CC(=O)COC(=O)c1ccccc1- InChIKey
JJANSRGIKCRCFG-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- Benzoic acid, acetylmethyl ester
- IUPAC
- 2-oxopropyl benzoate
- English name
- Benzoic acid acetonyl ester
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
2-oxopropyl benzoateHydroxyacetone benzoate2-Propanone, 1-(benzoyloxy)-BENZOIC ACID, ACETYLMETHYL ESTERBENZOIC ACID ACETONYL ESTER1-Benzoyloxypropan-2-oneNSC 56671-(BENZOYLOXY)-2-PROPANONEOP1T9NK84ZBRN 1949247AI3-06579NSC-5667
Show more names
1-(Benzoyloxy)propan-2-one
(BENZOYLOXY)ACETONEUNII-OP1T9NK84ZACETYLMETHYL BENZOATEDTXSID802167434-09-00-00453 (Beilstein Handbook Reference)3-(BENZOYLOXY)-2-PROPANONE2-PROPANONE, HYDROXY-, BENZOATERefChem:118504
Database identifiers
- CAS
6656-60-6- PubChem CID
- 23137
- DTXSID
DTXSID80216743- ChEMBL
CHEMBL3276493- UNII
- OP1T9NK84Z
- Nikkaji
- J41.213I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 1 T9NK84Z · OP1T9NK84Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers23 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
上海芸联医药科技有限公司13120563767 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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