Registration Dossier
Registration Dossier
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EC number: 905-013-3 | CAS number: -
Reference substances
- IUPAC name:
- rel-(2R,5R)-2-isopropyl-5-methylcyclohexanone
Inventory
- EC number:
- 207-727-4
- EC name:
- Isomenthone
- CAS number:
- 491-07-6
- CAS number:
- 491-07-6
Synonyms
- Names:
- (2R,5R)-rel-5-methyl-2-(1-methylethyl)cyclohexanone
- (Z)-p-menthan-3-one
- (dl)-Isomenthone
- (±)-Isomenthone
- 5-Methyl-2-(1-methylethyl)cyclohexanone, (Z)-
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (Z)-
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
- Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-(+/-)-
- DL-Isomenthone
- Isomenthone
- cis-5-methyl-2-(1-methylethyl)cyclohexanone
- cis-menthan-3-one
- cis-p-menthan-3-one
- p-Menthan-3-one, (Z)-
- p-Menthan-3-one, cis-
- rel-(1R,4R)-p-menthan-3-one
- Identifier:
- IUPAC name
- 2-Isopropyl-5-methylcyclohexanone
- Identifier:
- other: SMILES notation
- CC(C)C1CCC(C)CC1=O
- Identifier:
- other: InChl
- InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
Molecular and structural information
- Molecular formula:
- C10H18O
- Molecular weight:
- 154.249
- SMILES notation:
- CC(C)[C@@H]1CC[C@H](C)CC1=O
and
CC(C)[C@H]1CC[C@@H](C)CC1=O - InChl:
- InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
AuxInfo=1/0/N:1,3,8,6,5,9,2,7,4,10,11/E:(1,2)/it:im/rA:11cCCCCCCCCCCO/rB:s1;s2;n2;s4;s5;s6;N7;s7;s4s9;d10;/rC:1.6238,-.8625,0;.9093,-.45,0;.1949,-.8625,0;.9093,.375,0;.1949,.7875,0;.1949,1.6125,0;.9093,2.025,0;.9093,2.85,0;1.6238,1.6125,0;1.6238,.7875,0;2.3383,.375,0;
and
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
AuxInfo=1/0/N:1,3,8,6,5,9,2,7,4,10,11/E:(1,2)/it:im/rA:11cCCCCCCCCCCO/rB:s1;s2;p2;s4;s5;s6;P7;s7;s4s9;d10;/rC:1.6238,-.8625,0;.9093,-.45,0;.1949,-.8625,0;.9093,.375,0;.1949,.7875,0;.1949,1.6125,0;.9093,2.025,0;.9093,2.85,0;1.6238,1.6125,0;1.6238,.7875,0;2.3383,.375,0; - Structural formula:
Related substances
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