Basic information
- CAS
620-68-8- Standard SMILES
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC- InChIKey
PZJLFHDNXGAZHU-UHFFFAOYSA-N- Molecular formula
- C18H32O6
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.21988874
Names & identifiers
- Preferred name
- Trivalerin
- IUPAC
- 2,3-di(pentanoyloxy)propyl pentanoate
- English name
- GLYCEROL TRIVALERATE
- Molecular formula
- C18H32O6
- Molecular weight
- 344.44
Names & synonyms
Glycerol trivalerate620-68-8TrivalerinZ9J25OS07LPentanoic acid, 1,2,3-propanetriyl esterRefChem:143784210-648-8GLYCEROLTRIVALERATE2,3-di(pentanoyloxy)propyl pentanoatePropane-1,2,3-triyl trivalerateUNII-Z9J25OS07Lglycerol tripentanoate
Show more names
GLYCERYL TRIVALERATE1,3-di(pentanoyloxy)propan-2-yl pentanoate
EINECS 210-648-8propane-1,2,3-triyl tripentanoateMFCD00048803glycerin tripentanoateTripentanoinTRIVALERIANINTrivaleric acid 1,2,3-propanetriyl ester1,2,3-Trivalerylglycerol
Database identifiers
- CAS
620-68-8- PubChem CID
- 69287
- DTXSID
DTXSID30977539- UNII
- Z9J25OS07L
- EC Number
- 210-648-8
- Nikkaji
- J118.307I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 386.9 · 386.9±9.0 °C(Predicted)
- Density
- 1.002 g/mL · 1.002 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.439
- form
- liquid
- BRN
- 1804221 · 1804221
- InChI
- InChI=1S/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3
- InChIKey
- PZJLFHDNXGAZHU-UHFFFAOYSA-N
- SMILES
- C(OC(=O)CCCC)C(OC(=O)CCCC)COC(=O)CCCC
- FDA UNII
- 9 J25OS07L · Z9J25OS07L
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesGlycerol Trivalerate is used a a substrate to determine lipase activity in cheese.
Suppliers22 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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