Basic information
- CAS
18373-31-4- Standard SMILES
CCC(=O)OCC(O)COC(=O)CC- InChIKey
BQNHSMJWMBBIEQ-UHFFFAOYSA-N- Molecular formula
- C9H16O5
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.09977361
Names & identifiers
- Preferred name
- 1,2,3-Propanetriol, 1,3-dipropanoate
- IUPAC
- (2-hydroxy-3-propanoyloxypropyl) propanoate
- English name
- Diethyl 3-hydroxyglutarate
- Molecular formula
- C9H16O5
- Molecular weight
- 204.22
Names & synonyms
Glycerol 1,3-dipropionate18373-31-41,2,3-Propanetriol, 1,3-dipropanoateRefChem:1051991242-250-5(2-hydroxy-3-propanoyloxypropyl) propanoate2-hydroxypropane-1,3-diyl dipropanoateEINECS 242-250-5SCHEMBL9463770DTXSID20939747BQNHSMJWMBBIEQ-UHFFFAOYSA-NNS00052072
Show more names
1,3-DipropioninGlycerin α,α'-dipropionateDIETHYL-BETA-HYDROXYGLUTARATE3-HYDROXYGLUTARIC ACID DIETHYL ESTER2-Hydroxy-1,3-bis(propionyloxy)propane(2-hydroxy-3-propanoyloxy-propyl) propanoateDipropionic acid 2-hydroxytrimethylene ester
Database identifiers
- CAS
18373-31-4- PubChem CID
- 87606
- DTXSID
DTXSID20939747- EC Number
- 242-250-5
- Nikkaji
- J25.503C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 156 · 156-157 °C23 mm Hg(lit.)
- Density
- 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.439(lit.)
- Flash point
- 230 °F · >230 °F
- CAS DataBase Reference
- 18373 · 18373-31-4(CAS DataBase Reference)
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 23-24/25
Chemistry & industry
Suppliers8 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
重庆卡兰医药有限公司[email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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