Cas no 57006-69-6 (2,4-Hexadien-1-ol, acetate, (2E,4E)-)
57006-69-6 structure
Product Name:2,4-Hexadien-1-ol, acetate, (2E,4E)-
CAS No:57006-69-6
MF:C8H12O2
MW:140.179682731628
CID:346949
PubChem ID:5363491
Update Time:2025-04-19
2,4-Hexadien-1-ol, acetate, (2E,4E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadien-1-ol, acetate, (2E,4E)-
- SCHEMBL15978101
- SCHEMBL1302475
- 2,4-Hexadienylester kyseliny octove
- (2E,4E)-2,4-hexadien-1-ol 1-acetate
- (2E,4E)-hexa-2,4-dien-1-yl acetate
- CHEBI:194509
- Acetic acid(2E,4E)-2,4-hexadienyl ester
- 2,4-Hexadienyl acetate
- (E,E)-sorbyl acetate
- FEMA no. 4132
- BAA51617
- 1516-17-2
- (2E,4E)-2,4-hexadien-1-yl acetate
- A809197
- 2,4-Hexadienylester kyseliny octove [Czech]
- BS-52946
- 1-acetoxy-(E,E)-2,4-hexadiene
- CS-W016457
- ACETIC ACID, 2,4-HEXADIENYL ESTER
- trans,trans-2,4-Hexadienyl acetate, 97%
- 57006-69-6
- NS00012534
- trans,trans-2,4-Hexadienyl acetate
- 2,4-Hexadien-1-ol, acetate
- (E,E)-2,4-Hexadienyl acetate
- Sorbyl acetate
- Hexa-2,4-dien-1-yl acetate
- J-500788
- EINECS 216-163-8
- Hexa-2,4-dienyl acetate
- 2,4-HEXADIENYL ACETATE [FHFI]
- AI3-32962
- Hexa-2,4-dienyl A
- SCHEMBL1302474
- LMFA07010180
- Acetic acid, 2,4-hexadien-1-ol ester
- [(2E,4E)-hexa-2,4-dienyl] acetate
- (2E,4E)-2,4-Hexadienyl acetate #
- (2E,4E)-2,4-Hexadienyl acetate
- CHEBI:191490
- Q27261148
- (2E,4E)-hexa-2,4-dienyl acetate
- UNII-5416SJ1T8T
- 2E,4E-Hexadienyl acetate
- DTXSID701283446
- 2,4-Hexadien-1-ol, 1-acetate
- Acetic acid (2E,4E)-2,4-hexadienyl ester
- 5416SJ1T8T
- (E,E)-2,4-hexadien-1-ol acetate
- AKOS025294573
- trans,trans-Hexa-2,4-dienyl acetate
-
- MDL： MFCD00036521
- Inchi： 1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
- InChI Key： PXVKYPFROMBALG-VNKDHWASSA-N
- SMILES： O(C(C)=O)C/C=C/C=C/C
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 57.53
2,4-Hexadien-1-ol, acetate, (2E,4E)- Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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