Cas no 56577-30-1 (7-Tridecen-1-ol, acetate, (E)-)
56577-30-1 structure
Product Name:7-Tridecen-1-ol, acetate, (E)-
CAS No:56577-30-1
MF:C15H30O3
MW:258.396905422211
CID:348483
PubChem ID:71444635
Update Time:2025-04-19
7-Tridecen-1-ol, acetate, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Tridecen-1-ol, acetate, (E)-
- acetic acid,tridec-7-en-1-ol
- (7E)-Tridec-7-en-1-yl acetate
- LogP
- Acetic acid--tridec-7-en-1-ol (1/1)
- DTXSID60853397
- 56577-30-1
-
- Inchi: 1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h6-7,14H,2-5,8-13H2,1H3;1H3,(H,3,4)
- InChI Key: DUXHPCUIYXFENO-UHFFFAOYSA-N
- SMILES: OCCCCCCC=CCCCCC.OC(C)=O
Computed Properties
- Exact Mass: 258.2196
- Monoisotopic Mass: 258.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 149
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 0.88
- Boiling Point: 317.078°C at 760 mmHg
- Flash Point: 97.741°C
- Refractive Index: 1.45
- PSA: 57.53
7-Tridecen-1-ol, acetate, (E)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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