Basic information
- CAS
127-36-6- Standard SMILES
CC(C)C1C=C2CCC3C(C)(CO)CCCC3(C)C2CC1- InChIKey
FLMIYUXOBAUKJM-UHFFFAOYSA-N- Molecular formula
- C20H34O
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.2609657
Overview
See also: Hydroabietyl alcohols (annotation moved to).
Names & identifiers
- Preferred name
- 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-
- IUPAC
- (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl)methanol
- English name
- 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol
- Molecular formula
- C20H34O
- Molecular weight
- 290.48
Names & synonyms
1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-RefChem:435454127-36-6Hydroabietyl alcohol(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl)methanol1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanolPodocarpa-8,11,13-trien-15-ol, 13-isopropyl-;Dehydroabietol; Dehydroabietyl alcohol; Pomiferin A; ar-Abietatrienolabiet-8(14)-en-18-olDihydroabietylAlcoholEINECS 204-836-9SCHEMBL891638DTXSID50872370
Show more names
1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-isopropyl-1-phenanthrenemethanol
FLMIYUXOBAUKJM-UHFFFAOYSA-Ndihydroabietyl alcohol, AldrichCPRDB-046914NS00001270(1R-(1alpha,4abeta,4balpha,10aalpha))-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 387.4 · 387.4±11.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)- (127-36-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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