Cas no 27104-14-9 (Hexadecenal)
Hexadecenal structure
Product Name:Hexadecenal
CAS No:27104-14-9
MF:C16H30O
MW:238.408805370331
CID:288914
PubChem ID:5280541
Update Time:2025-04-19
Hexadecenal Chemical and Physical Properties
Names and Identifiers
-
- Hexadecenal
- Q27102466
- UNII-Z79H35Z0RU
- trans-2-Hexadecenal
- 2-Hexadecenal, (2E)-
- (E)-hexadec-2-enal
- C06123
- 16:1 aldehyde, (2E)-hexadecenal, powder
- Z79H35Z0RU
- 3163-37-9
- 2-(15,15,16,16,16-d5)-hexadecenal
- SCHEMBL1783148
- CHEBI:17585
- 2-trans-Hexadecenal
- 22644-96-8
- LMFA06000089
- J-014797
- 2-hexadecenal, E
- 2-Hexadecenal, (E)-
- 2-(d5)-hexadecenal
- 27104-14-9
- (2E)-hexadec-2-enal
- DTXSID801015907
- (E)-2-hexadecenal
- hexadec-2-enal
- 2-Hexadecenal
- trans-hexadec-2-enal
- (2E)-hexadecenal
-
- Inchi： 1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+
- InChI Key： KLJFYXOVGVXZKT-CCEZHUSRSA-N
- SMILES： O=C/C=C/CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 238.229666
- Monoisotopic Mass: 238.229666
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 172
- 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: 17.1
- XLogP3: 6.9
Experimental Properties
- Density: 0.8450 (estimate)
- Melting Point: 26°C (estimate)
- Boiling Point: 331.02°C (rough estimate)
- Flash Point: 166.4°C
- Refractive Index: 1.4623 (estimate)
Hexadecenal Related Literature
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1. In vitro oxidations of low-density lipoprotein and RAW 264.7 cells with lipophilic O(3P)-precursorsJohn T. Petroff,Ankita Isor,Satyanarayana M. Chintala,Carolyn J. Albert,Jacob D. Franke,David Weinstein,Sara M. Omlid,Christopher K. Arnatt,David A. Ford,Ryan D. McCulla RSC Adv. 2020 10 26553
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Pol Sanllehí,Mireia Casasampere,José-Luis Abad,Gemma Fabriàs,Olga López,Jordi Bujons,Josefina Casas,Antonio Delgado Chem. Commun. 2017 53 5441
-
Yuguo Jiang,Jiangfan Ma,Yongjun Wei,Yining Liu,Zhihua Zhou,Yongping Huang,Pingping Wang,Xing Yan Green Chem. 2022 24 767
-
Ye Cai,Chang-Chun Ling,David R. Bundle Org. Biomol. Chem. 2006 4 1140
-
Sanghamitra Atta,Mohammed Ikbal,Nishitha Boda,Samiran S. Gauri,N. D. Pradeep Singh Photochem. Photobiol. Sci. 2013 12 393
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