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EC number: 204-727-6 | CAS number: 125-12-2
Reference substances
- IUPAC name:
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
Inventory
- EC number:
- 204-727-6
- EC name:
- Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
- CAS number:
- 125-12-2
- CAS number:
- 125-12-2
Synonyms
- Names:
- exo- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
- Acetic acid, isobornyl ester
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-
- Isobornyl acetate
- Identifier:
- IUPAC name
- (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
- Identifier:
- IUPAC name
- (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
- Identifier:
- IUPAC name
- (1S,2S,4S) 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
- Identifier:
- IUPAC name
- Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
- Identifier:
- IUPAC name
- [(1S,4R,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate
- Identifier:
- common name
- Isobornyl acetate
- Identifier:
- other: InChl
- 1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
- Identifier:
- other: Molecular formula
- C24H40O4
- Identifier:
- other: SMILES notation
- CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
- Identifier:
- other: SMILES notation
- CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C.CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
- Identifier:
- other: InChl
- InChI=1/2C12H20O2/c2*1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h2*9-10H,5-7H2,1-4H3/t2*9-,10-,12+/s2
- Identifier:
- other: InChl
- InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m1/s1
- Identifier:
- other: SMILES notation
- O=C(OC1C2(C(C(CC2)C1)(C)C)C)C
Molecular and structural information
- Molecular formula:
- C12H20O2
- Molecular weight:
- ca. 196.286
- SMILES notation:
- CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
- InChl:
- InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
- Structural formula:
Related substances
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