Basic information
- CAS
581-55-5- Standard SMILES
CC(=O)OC(OC(C)=O)c1ccccc1- InChIKey
XRYSDRCNTMEYFH-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Benzylidene diacetate
- IUPAC
- [acetyloxy(phenyl)methyl] acetate
- English name
- BENZAL DIACETATE
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
Benzal diacetate581-55-5Benzylidene diacetateCCF99DS4PJDIACETOXYPHENYLMETHANEbenzaldehyde diacetateBENZENEMETHANEDIOL DIACETATENSC-7732EINECS 209-469-8AI3-19329DTXSID602068241,1-DIACETOXYMETHYLBENZENE
Show more names
Phenylmethylene diacetateà,à-diacetoxytolueneBENZAL DIACETATE 98%Benzal Diacetate >BENZAL DIACETATE 95+%(a,a-Diacetoxytoluene)Deferiprone Impurity 5
NSC 7732.ALPHA.,.ALPHA.-DIACETOXYTOLUENEMETHANEDIOL, 1-PHENYL-, 1,1-DIACETATEalpha,alpha-DiacetoxytolueneRefChem:118948DTXCID90129315209-469-8InChI=1/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H
Database identifiers
- CAS
581-55-5- PubChem CID
- 68489
- DTXSID
DTXSID60206824- UNII
- CCF99DS4PJ
- EC Number
- 209-469-8
- Nikkaji
- J7.436E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.62
Physicochemical properties
- Melting point
- 44 · 44-46°C
- Boiling point
- 154 °C · 154 °C / 20mmHg
- Density
- 1.11 · 1.1100
- refractive index
- 1.457 · 1.4570 (estimate)
- solubility
- soluble in Methanol
- form
- powder to lump
- color
- White to Almost white
- CAS DataBase Reference
- 581 · 581-55-5(CAS DataBase Reference)
- FDA UNII
- 99 DS4PJ · CCF99DS4PJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Methanediol, phenyl-, diacetate
Safety data
- hs_code
- 2915.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 total
河北凡博医药科技有限公司15588346797 · [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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂
Related reactions
3 records
Compound notes
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