Basic information
- CAS
105-70-4- Standard SMILES
CC(=O)OCC(O)COC(C)=O- InChIKey
MPPODKLDCLFLKT-UHFFFAOYSA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.06847348
Names & identifiers
- Preferred name
- 1,2,3-Propanetriol, 1,3-diacetate
- IUPAC
- (3-acetyloxy-2-hydroxypropyl) acetate
- English name
- 2-hydroxypropane-1,3-diyl diacetate
- Molecular formula
- C7H12O5
- Molecular weight
- 176.17
Names & synonyms
1,2,3-Propanetriol, 1,3-diacetateRefChem:4107471,3-Diacetin105-70-42-Hydroxypropane-1,3-diyl diacetateGlyceryl 1,3-diacetate1,2,3-Propanetriol,1,3-diacetate(3-acetyloxy-2-hydroxypropyl) acetate3-(acetyloxy)-2-hydroxypropyl acetateG45CU3Z186MFCD000087171,3-Diacetin (Technical grade, ~50per cent)
Show more names
Iprobenfos Impurity 5Glyceryl Trinitrate Impurity 7
1,3-Diacetin (Technical grade, ~50%)UNII-G45CU3Z1861,3-Diacetoxy-2-propanol; Glycerine 1,3-Diacetate; Glycerol 1,3-Diacetate; 1,2,3-Propanetriol 1,3-Diacetate2-Hydroxypropane-1,3-diyldiacetateEINECS 203-323-7(3-acetoxy-2-hydroxy-propyl) acetateGlycerol 1,3 diacetate1,3-diacetoxy-propan-2-ol
Database identifiers
- CAS
105-70-4- PubChem CID
- 66924
- DTXSID
DTXSID90146906- UNII
- G45CU3Z186
- EC Number
- 203-323-7
- Nikkaji
- J5.047D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 227.77 °C · 227.77°C (rough estimate)
- Density
- 1.179 · 1.1790
- refractive index
- 1.4395 · 1.4395 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 13.14 · 13.14±0.20(Predicted)
- color
- Colourless
- FDA UNII
- 45 CU3Z186 · G45CU3Z186
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P362-P302+P352-P305+P351+P338-P405-P501
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: 1,2,3-Propanetriol, 1,3-diacetate
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P362-P302+P352-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses1,3-Diacetin is a derivative of Triacetin (T720850) which is used as a food additive and flavorings. Triacetin can be used as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent. Triacetin can also be used as a fuel additive as an antiknock agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
山东沃德森生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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