Basic information
- CAS
7250-71-7- Standard SMILES
CC(=O)OCC(COc1ccccc1)OC(C)=O- InChIKey
MFUHTALWGBAVOL-UHFFFAOYSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Names & identifiers
- Preferred name
- 1,1'-(1-(Phenoxymethyl)-1,2-ethanediyl) diacetate
- IUPAC
- (2-acetyloxy-3-phenoxypropyl) acetate
- English name
- 3-phenoxypropylene di(acetate)
- Molecular formula
- C13H16O5
- Molecular weight
- 252.26314
Names & synonyms
3-Phenoxypropylene di(acetate)7250-71-71,2-Propanediol, 3-phenoxy-, diacetateZL62PTX2EN3-phenoxypropane-1,2-diyl diacetateNSC-301501,1'-(1-(Phenoxymethyl)-1,2-ethanediyl) diacetate1,2-PROPANEDIOL, 3-PHENOXY-, 1,2-DIACETATE1,1'-[1-(phenoxymethyl)-1,2-ethanediyl] diacetateRefChem:707323-Phenoxy-1,2-propanediol diacetate(2-acetyloxy-3-phenoxypropyl) acetate
Show more names
3-Phenoxypropane-1,2-diol diacetate3-(Phenoxy)propane-1,2-diol diacetate
1-Phenyl ether-2,3-diacetate glycerolPhenylglyceryl ether diacetateGlycerol phenyl ether diacetateEINECS 230-661-2NSC 30150BRN 1981828AI3-07927CaC2, Calcium acetylide
Database identifiers
- CAS
7250-71-7- PubChem CID
- 95697
- DTXSID
DTXSID101032473- UNII
- ZL62PTX2EN
- EC Number
- 230-661-2
- Nikkaji
- J50.905A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 355.44 °C · 355.44°C (rough estimate)
- Density
- 1.238 · 1.2380 (rough estimate)
- refractive index
- 1.4825 · 1.4825 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 62 PTX2EN · ZL62PTX2EN
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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