Basic information
- CAS
30968-45-7- Standard SMILES
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1C=C(C(C)C)CC[C@@H]12- InChIKey
MARRJGBPDCCAEK-FSAOVCISSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.25588032
Names & identifiers
- Preferred name
- methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
- IUPAC
- methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
- English name
- Dihydroabietic acid methyl ester
- Molecular formula
- C21H34O2
- Molecular weight
- 318.49
Names & synonyms
30968-45-7methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylateDihydroabietic Acid Methyl EsterMARRJGBPDCCAEK-HSLMUJISSA-NNS00123376D89778METHYL (1R,4AR,4BS,10AR)-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,4B,5,6,8A,9,10,10A-DECAHYDROPHENANTHRENE-1-CARBOXYLATEMETHYL DIHYDROABIETATEMETHYL ABIETATE (HYDROGENATED)Methyl (4beta)-abiet-13-en-18-oate(1R,10aα)-1β,4aβ-Dimethyl-7-(1-methylethyl)tetradecahydrophenanthrene-1α-carboxylic acid methyl ester(1R,4aR,4bS)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Show more names
Methyl (1R,4aR,4bS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Database identifiers
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
Physicochemical properties
- Boiling point
- 365 °C · 365 °C
- Density
- 1 · 1,01 g/cm3
- refractive index
- 40 ° · 40 ° (C=neat)
- Flash point
- 183 °C · 183°C
- form
- clear liquid
- color
- Light yellow to Brown
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7666 FJ0J9F · 7666FJ0J9F
- EPA Substance Registry System
- Methyl dihydroabietate (30968-45-7)
- Safety Statements
- 24 · 24/25
- HS Code
- 2916.2 · 2916.20.5000
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
- hs_code
- 2916.20.5000
- safety_code
- 24/25
Chemistry & industry
Suppliers27 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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