1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
Basic information
- CAS
67893-02-1- Standard SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)CC3=CCC12- InChIKey
YUBSLXLMZVQYAG-UHFFFAOYSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.25588032
Names & identifiers
- Preferred name
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
- IUPAC
- methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate
- English name
- methyl 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
- Molecular formula
- C21H34O2
- Molecular weight
- 318.49
Names & synonyms
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl esterDTXSID10867388RefChem:435439DTXCID2081557767893-02-1Methyl abiet-7-en-18-oateMethyl abiet-7-en-18-oate #SCHEMBL21219621Dihydroabietic acid, methyl esterMethyl 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylateNS000138539.beta.-Podocarp-7-en-15-oic acid, 13.beta.-isopropyl-, methyl ester
Show more names
1,2,3,4,4a,4b,5,6,7,8,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid methyl ester1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester Methyl dihydroabietate
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.beta.,7.beta.,10a.alpha.)]-
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
CosmeticsViscosity controlling
Physicochemical properties
- Boiling point
- 389 · 389.0±31.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- VISCOSITY CONTROLLING
- LogP
- 7.33 · 7.330 (est)
- EPA Substance Registry System
- 1 · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester (67893-02-1)
- 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 InformationChemical: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Viscosity controlling
General Manufacturing Information1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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