Basic information
- CAS
620-63-3- Standard SMILES
CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C- InChIKey
HZGMZSCMYSGJTL-UHFFFAOYSA-N- Molecular formula
- C18H32O6
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.21988874
Names & identifiers
- Preferred name
- Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester
- IUPAC
- 2,3-bis(3-methylbutanoyloxy)propyl 3-methylbutanoate
- English name
- glycerol triisovalerate
- Molecular formula
- C18H32O6
- Molecular weight
- 344.44
Names & synonyms
Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) esterRefChem:571424TriisovalerinGlycerol triisovalerate620-63-3Glycerol triisopentanoatepropane-1,2,3-triyl tris(3-methylbutanoate)Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester451HEL00B1NSC-4048Isovalerin, triNSC 4048
Show more names
1,2,3-Propanetriyltriisovalerate1,2,3-Propanetriol tri(3-methylbutyrate)1,3-bis(3-methylbutanoyloxy)propan-2-yl 3-methylbutanoate3-methylbutyric acid [2-isovaleryloxy-1-(isovaleryloxymethyl)ethyl] ester
EINECS 210-645-11,2,3-Propanetriyl 3-methylbutanoateBRN 1804184UNII-451HEL00B1Isovaleric acid, 1,2,3-propanetriyl esterglycerol tri(3 methylbutanoate)DTXSID5060720SCHEMBL14415219
Database identifiers
- CAS
620-63-3- PubChem CID
- 69285
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 399.53 °C · 399.53°C (rough estimate)
- Density
- 0.9984 · 0.9984
- refractive index
- 1.4354 · 1.4354 (estimate)
- FDA UNII
- 451 HEL00B1 · 451HEL00B1
- EPA Substance Registry System
- 3 · Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester (620-63-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester: INACTIVE
Suppliers5 total
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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