Basic information
- CAS
21105-05-5- Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OB(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
APDCUDTVQNGARJ-YABOVECJSA-N- Molecular formula
- C30H57BO3
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.4400758
Overview
See also: Trimenthol, triester with boric acid, stereoisomer (annotation moved to).
Names & identifiers
- Preferred name
- Menthyl borate
- IUPAC
- tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] borate
Names & synonyms
Menthyl borate62697-74-9Q9A4FNB1ZQrel-Tris((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) borateCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-rel-21105-05-5p-Menth-3-yl borateMenthol, triester with boric acid (H3BO3)Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-rel-EINECS 211-229-2EINECS 263-701-2starbld0016599
Show more names
UNII-Q9A4FNB1ZQMENTHYL BORATE [MI]MENTHYL BORATE, (-)-EINECS 244-212-3Q27287144MENTHOL, TRIESTER WITH BORIC ACID (H3BO3), (-)-5-Methyl-2-(1-methylethyl)cyclohexanol, triester with boric acid (H3BO3), stereoisomer5-Methyl-2-(1-methylethyl)cyclohexanol, triester with boris acid (H3BO3), stereoisomer
Database identifiers
- CAS
21105-05-5、62697-74-9、635-20-1- PubChem CID
- 102455
- UNII
- Q9A4FNB1ZQ
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3): ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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