Cas no 871-68-1 (3-Heptene-1,7-diol,1,7-diacetate)
871-68-1 structure
Product Name:3-Heptene-1,7-diol,1,7-diacetate
CAS No:871-68-1
MF:C11H18O4
MW:214.258224010468
CID:725198
PubChem ID:5354761
Update Time:2025-04-19
3-Heptene-1,7-diol,1,7-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptene-1,7-diol,1,7-diacetate
- [(Z)-7-acetyloxyhept-4-enyl] acetate
- 871-68-1
- DTXSID30417849
- (3Z)-Hept-3-ene-1,7-diyl diacetate
- NSC18529
- NSC-18529
-
- Inchi： 1S/C11H18O4/c1-10(12)14-8-6-4-3-5-7-9-15-11(2)13/h3-4H,5-9H2,1-2H3/b4-3-
- InChI Key： COBYGFWRPPXOST-ARJAWSKDSA-N
- SMILES： O(C(C)=O)CCC/C=C\CCOC(C)=O
Computed Properties
- Exact Mass: 214.121
- Monoisotopic Mass: 214.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 221
- 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: 52.6A^2
- XLogP3: 1.6
Experimental Properties
- Density: 1.016
- Boiling Point: 273.4°C at 760 mmHg
- Flash Point: 126.2°C
- Refractive Index: 1.449
- PSA: 52.60000
- LogP: 1.83910
3-Heptene-1,7-diol,1,7-diacetate Related Literature
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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
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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