Cas no 5921-82-4 (2-Acetate 2-Heptanol)
2-Acetate 2-Heptanol structure
Product Name:2-Acetate 2-Heptanol
CAS No:5921-82-4
MF:C9H18O2
MW:158.238023281097
CID:375533
Update Time:2025-04-19
2-Acetate 2-Heptanol Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanol, 2-acetate
- 1-methylhexyl acetate
- heptan-2-yl acetate
- 2-Heptyl acetate
- Acetic acid, hept-2-yl ester
- 2-Acetate 2-Heptanol
-
- Inchi： 1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
- InChI Key： VJYWBLDDQZIGJI-UHFFFAOYSA-N
- SMILES： CCCCCC(OC(=O)C)C
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 110
- 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
- Topological Polar Surface Area: 26.3A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.9
Experimental Properties
- Density: 0.8809 (estimate)
- Melting Point: -50.2°C (estimate)
- Boiling Point: 183.34°C (estimate)
- Flash Point: 59.4°C
- Refractive Index: 1.4039 (estimate)
- PSA: 26.3
2-Acetate 2-Heptanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A227740-100mg |
2-Acetate 2-Heptanol |
5921-82-4 | 100mg |
$ 155.00 | 2023-04-19 | ||
| TRC | A227740-500mg |
2-Acetate 2-Heptanol |
5921-82-4 | 500mg |
$ 689.00 | 2023-04-19 | ||
| TRC | A227740-1g |
2-Acetate 2-Heptanol |
5921-82-4 | 1g |
$ 800.00 | 2023-09-09 | ||
| TRC | A227740-1000mg |
2-Acetate 2-Heptanol |
5921-82-4 | 1g |
$ 1183.00 | 2023-04-19 |
2-Acetate 2-Heptanol Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
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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