Cas no 51117-19-2 (Butanoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester)
51117-19-2 structure
Product Name:Butanoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:51117-19-2
MF:C15H26O2
MW:238.365745067596
CID:373754
PubChem ID:6429034
Update Time:2025-04-19
Butanoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
- (Z)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate
- [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
- (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-methylbutanoate
- Butanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester
- Neryl 2-methyl butyrate
- PEQMAZJTEUEQJP-RAXLEYEMSA-N
- neryl 2-methylbutanoate
- Butanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
- EINECS 256-994-3
- Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
- 51117-19-2
- Neryl 2-methylbutyrate
- NS00056662
- DTXSID50885940
-
- Inchi： 1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
- InChI Key： PEQMAZJTEUEQJP-RAXLEYEMSA-N
- SMILES： O(C/C=C(/C)\CC/C=C(\C)/C)C(C(C)CC)=O
Computed Properties
- Exact Mass: 238.19338
- Monoisotopic Mass: 238.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.9
Experimental Properties
- Density: 0.893
- Boiling Point: 312.1°Cat760mmHg
- Flash Point: 97.5°C
- Refractive Index: 1.459
- PSA: 26.3
Butanoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
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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