Cas no 1335-09-7 (Heptenol, methyl-)
Heptenol, methyl- structure
Product Name:Heptenol, methyl-
CAS No:1335-09-7
MF:C8H16O
MW:128.212042808533
CID:138722
Update Time:2024-01-25
Heptenol, methyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptenol, methyl-
- 6-METHYL-5-HEPTEN-2-OL
- 2-METHYL-2-HEPTEN-6-OL
- 6-HEPTEN-2-OL,6-METHYL
- 6-methyl-6-hepten-2-o
- 6-methyl-6-hepten-2-ol
- Heptenol,methyl
- METHYL HEPTENOL
- methyl-hepteno
- TIMTEC-BB SBB008067
- 6-HEPTEN-2-OL,6-METHYL-
- DL-6-METHYL-5-HEPTEN-2-OL
- (+/-)-6-METHYL-5-HEPTEN-2-OL
- methylheptenol
- Heptenol,methyl-
-
- Inchi: 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
- InChI Key: OHEFFKYYKJVVOX-UHFFFAOYSA-N
- SMILES: C(/C)(\C)=C/CCC(O)C
Computed Properties
- Exact Mass: 128.12000
- Monoisotopic Mass: 128.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 74.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.844?g/mL?at 25?°C(lit.)
- Melting Point: -31.5°C (estimate)
- Boiling Point: 78?°C14?mm Hg(lit.)
- Flash Point: 154?°F
- Refractive Index: n20/D 1.448(lit.)
- PSA: 20.23000
- LogP: 2.11360
Heptenol, methyl- Security Information
- WGK Germany:3
- Hazard Category Code: 40
- Safety Instruction: S36/37: wear appropriate protective clothing and gloves.
-
Hazardous Material Identification:
- Risk Phrases:R40
Heptenol, methyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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