Basic information
- CAS
206659-84-9- Standard SMILES
CCCCCCCCC(CCCCCCCC)C(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@H]32)C1- InChIKey
VKIHTSHHXDQXBA-UCDKQBMZSA-N- Molecular formula
- C47H86O2
- Average molar mass
- 683.2 g/mol
- Monoisotopic mass
- 682.66278198
Names & identifiers
- Preferred name
- Dihydrophytosteryl Octyldecanoate
- IUPAC
- [(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-octyldecanoate
Names & synonyms
Nikkol DPISDihydrophytosteryl octyldecanoateUNII-T55ULQ060ET55ULQ060E206659-84-9Stigmastan-3-ol, 2-octyldecanoate, (3beta,5beta)-DTXSID50174705STIGMASTAN-3-OL, 2-OCTYLDECANOATE, (3.BETA.,5.BETA.)-RefChem:133913DTXCID2097196DIHYDROPHYTOSTERYL OCTYLDECANOATE [INCI]5beta-Stigmastan-3beta-yl 2-octyldecanoate
Show more names
Q27289688
Database identifiers
- CAS
206659-84-9- PubChem CID
- 71587635
- DTXSID
DTXSID50174705- UNII
- T55ULQ060E
Properties
Computed structural properties
- XLogP
- 19
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 924
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Dihydrophytosteryl Octyldecanoate) -> CIR (Cosmetic Ingredient Review)
Emollient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Dihydrophytosteryl Octyldecanoate
Use ClassificationCosmetics -> Emollient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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