Basic information
- CAS
40596-80-3- Standard SMILES
CCSC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC- InChIKey
YGBMMMOLNODPBP-GWGZPXPZSA-N- Molecular formula
- C18H32O2S
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.21230126
Names & identifiers
- Preferred name
- Triprene
- IUPAC
- S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioate
- English name
- ENT 70513
- Molecular formula
- C18H32O2S
- Molecular weight
- 312.51
Names & synonyms
Triprene40596-80-3888S6M89C1RefChem:1100505ZR 0619ZR-0619S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioate42583-44-8Triprene [ANSI]11-Methoxy-3,7,11-trimethyl-2,4-dodecadienethioic acid, S-ethyl esterZR-619Triprene [ANSI:ISO]
Show more names
(2E,4E)-1-ethylsulfanyl-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dien-1- one2,4-Dodecadienethioic acid, 11-methoxy-3,7,11-trimethyl-, S-ethyl ester, (2E,4E)-
ENT 70513FR 619RZ 619BRN 1877917UNII-888S6M89C1S-Ethyl 11-methoxy-3,7,11-trimethyl-2E,4E-dodecadienethioateTRIPRENE [ISO](E,E)-S-Ethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienethioate
Database identifiers
- CAS
40596-80-3、42583-44-8- PubChem CID
- 6439708
- DTXSID
DTXSID3042502- ChEMBL
CHEMBL36831- UNII
- 888S6M89C1
- Nikkaji
- J16.018K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- FDA UNII
- 888 S6M89C1 · 888S6M89C1
- EPA Substance Registry System
- Triprene (40596-80-3)
- Toxicity
- 50 oral · LD50 oral in rat: > 10gm/kg
Safety & regulation
Safety data
- Toxicity
- LD50 oral in rat: > 10gm/kg
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
1 records
Compound notes
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