Cas no 63975-59-7 (2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)-)
63975-59-7 structure
Product Name:2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)-
CAS No:63975-59-7
MF:C11H16O
MW:164.244143486023
CID:517294
PubChem ID:2724473
Update Time:2025-04-19
2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)-
- (R)-(-)-10-Methyl-1(9)-octal-2-one
- (R)-(?)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone
- NULL
- R-(-)-4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalinone
-
- Inchi： 1S/C11H16O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h8H,2-7H2,1H3/t11-/m1/s1
- InChI Key： OHERZLWVBJCXOF-LLVKDONJSA-N
- SMILES： O=C1C=C2CCCC[C@]2(C)CC1
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Colorless or transparent liquid
- Density: 1.018?g/mL?at 20?°C(lit.)
- Boiling Point: 155?°C17?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.525(lit.)
- PSA: 17.07
- LogP: 2.85600
- Solubility: Not determined
2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)- Security Information
- WGK Germany：3
- Hazard Category Code： 36-20/21/22
- Safety Instruction： 23-24/25
- FLUKA BRAND F CODES：10-23
-
Hazardous Material Identification：
- Storage Condition：2-8°C
2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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