Basic information
- CAS
628-66-0- Standard SMILES
CC(=O)OCCCOC(C)=O- InChIKey
DSVGICPKBRQDDX-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Overview
1,3-diacetoxypropane is an acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid. It has a role as a metabolite. It is an acetate ester and a diester. It is functionally related to a propane-1,3-diol.
Names & identifiers
- Preferred name
- 1,3-Diacetoxypropane
- IUPAC
- 3-acetyloxypropyl acetate
- English name
- Trimethylene acetate
- Molecular formula
- C7H12O4
- Molecular weight
- 160.17
Names & synonyms
1,3-Diacetoxypropane628-66-01,3-Propanediol, diacetateZX3LM67XJZAI3-07820NSC-227936CHEBI:87360DTXSID30211889RefChem:72569DTXCID10134380Trimethylene acetatepropane-1,3-diyl diacetate
Show more names
1,3-acetoxy propaneTIMTEC-BB SBB0080221,3-Propanediyl Diacetate3-acetyloxypropyl ethanoatediacetate of 1,3-propanediol
3-acetyloxypropyl acetate1,3-Propylene diacetate1,3-Propylene glycol diacetate1,3-Propanediol,1,3-diacetate3-(Acetyloxy)propyl acetateMFCD000149831,3-Propanediol diacetate3-acetoxypropyl acetate
Database identifiers
- CAS
628-66-0- PubChem CID
- 69409
- DTXSID
DTXSID30211889- ChEBI
CHEBI:87360- UNII
- ZX3LM67XJZ
- Nikkaji
- J106.489D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 209 · 209-210°C
- Density
- 1.07 · 1.0700
- refractive index
- 1.4192 · 1.4192 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- CAS DataBase Reference
- 628 · 628-66-0(CAS DataBase Reference)
- FDA UNII
- 3 LM67XJZ · ZX3LM67XJZ
- NIST Chemistry Reference
- 1 · 1,3-Propanediol, diacetate(628-66-0)
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1993
- risk_code
- 10
- safety_code
- 16
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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