Cas no 6938-51-8 (2-Octanol, 2-benzoate)
2-Octanol, 2-benzoate structure
Product Name:2-Octanol, 2-benzoate
CAS No:6938-51-8
MF:C15H22O2
MW:234.333984851837
CID:516664
PubChem ID:243800
Update Time:2025-04-19
2-Octanol, 2-benzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol, 2-benzoate
- octan-2-yl benzoate
- 1,4-benzenedi-carboxylic acid diethyl ester
- 1-Methylheptyl benzoate
- 2-Octyl benzoate
- AC1L6CDB
- AC1Q5XZY
- AGN-PC-008UFM
- benzoic acid 1-methylheptyl ester
- benzoic acid-(1-methyl-heptyl ester)
- Benzoic acid, sec-octyl ester
- di(2-ethylhexyl)terephthalate
- SureCN1142467
- A840205
- NSC-53972
- NSC67893
- NSC-67893
- NS00010800
- benzoic acid 1-methyl-heptyl ester
- SCHEMBL1142467
- benzoic acid octan-2-yl ester
- 1-Methylheptyl benzoate #
- 6938-51-8
- WARXKCSTKHDFFE-UHFFFAOYSA-N
- DTXSID10288059
- NSC53972
-
- Inchi： 1S/C15H22O2/c1-3-4-5-7-10-13(2)17-15(16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- InChI Key： WARXKCSTKHDFFE-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C)CCCCCC
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: nothing
- Tautomer Count: nothing
- Surface Charge: 0
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 4.20230
2-Octanol, 2-benzoate Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
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
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
6938-51-8 (2-Octanol, 2-benzoate) Related Products
- 2412-73-9(Cyclohexyl benzoate)
- 131-15-7(Disecoctyl Phthalate)
- 2049-96-9(Pentyl benzoate)
- 23510-95-4(4-Oxocyclohexyl benzoate)
- 84-61-7(Dicyclohexyl phthalate)
- 6789-88-4(Hexyl benzoate)
- 94-50-8(Octyl benzoate)
- 2915-72-2(Dodecyl benzoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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