Basic information
- CAS
83846-95-1- Standard SMILES
CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C[C@@H](C)CC)cc2)cc1- InChIKey
KOWGBOBLPFEEBC-VWLOTQADSA-N- Molecular formula
- C30H44O3
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.32904526
Names & identifiers
- Preferred name
- Methylbutylphenyl dodecyloxybenzoate, (2S)-
- IUPAC
- [4-[(2S)-2-methylbutyl]phenyl] 4-dodecoxybenzoate
- English name
- (+)-4-(2-methylbutyl)phenyl 4-(dodecyloxy)benzoate
- Molecular formula
- C30H44O3
- Molecular weight
- 452.67
Names & synonyms
Methylbutylphenyl dodecyloxybenzoate, (2S)-17NL35IW13EINECS 281-075-9DTXSID70888615Benzoic acid, 4-(dodecyloxy)-, 4-[(2S)-2-methylbutyl]phenyl ester(S)-(+)-4-n-Dodecyloxy-4'-(2-methylbutyl)phenylbenzoateMETHYLBUTYLPHENYL DODECYLOXYBENZOATEBenzoic acid, 4-(dodecyloxy)-, 4-((2S)-2-methylbutyl)phenyl esterBenzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester, (S)-RefChem:818538DTXCID601027891METHYLBUTYLPHENYL DODECYLOXYBENZOATE [INCI]
Show more names
(+)-4-Dodecyloxybenzoic acid 4-(2-methylbutyl)phenyl ester
BENZOIC ACID, 4-(DODECYLOXY)-4-((2S)-2-METHYLBUTYL)PHENYL ESTER83846-95-1(+)-4-(2-Methylbutyl)phenyl 4-(dodecyloxy)benzoateUNII-17NL35IW13SCHEMBL9102879KOWGBOBLPFEEBC-VWLOTQADSA-N4-[(2S)-2-METHYLBUTYL]PHENYL 4-(DODECYLOXY)BENZOATE(2S)-methylbutylphenyl dodecyloxybenzoate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 557.5 · 557.5±43.0 °C(Predicted)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
- 12 · 12.000 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 17 NL35IW13 · 17NL35IW13
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(dodecyloxy)-, 4-[(2S)-2-methylbutyl]phenyl ester (83846-95-1)
- 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.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 4-(dodecyloxy)-, 4-(2-methylbutyl)phenyl ester, (S)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(dodecyloxy)-, 4-[(2S)-2-methylbutyl]phenyl ester: INACTIVE
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…