Cas no 71617-15-7 (Benzeneethanol, a,a,4-trimethyl-, 1-acetate)
71617-15-7 structure
Product Name:Benzeneethanol, a,a,4-trimethyl-, 1-acetate
CAS No:71617-15-7
MF:C13H18O2
MW:206.280824184418
CID:564854
PubChem ID:166175
Update Time:2025-04-19
Benzeneethanol, a,a,4-trimethyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a,a,4-trimethyl-, 1-acetate
- [2-methyl-1-(4-methylphenyl)propan-2-yl] acetate
- alpha,alpha,4-trimethylphenethyl acetate
- 2-methyl-1-(4-methylphenyl)propan-2-yl acetate
- 4,alpha,alpha-Trimethylbenzeneethanol acetate
- Benzeneethanol, alpha,alpha,4-trimethyl-, 1-acetate
- Benzeneethanol, alpha,alpha,4-trimethyl-, acetate
- 71617-15-7
- Benzeneethanol, .alpha.,.alpha.,4-trimethyl-, acetate
- Benzeneethanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate
- NS00061645
- DTXSID90887948
- EINECS 275-707-2
-
- Inchi： 1S/C13H18O2/c1-10-5-7-12(8-6-10)9-13(3,4)15-11(2)14/h5-8H,9H2,1-4H3
- InChI Key： ZZRMFTYRQORIEE-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)(C)CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 206.131
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.991
- Boiling Point: 278.6°C at 760 mmHg
- Flash Point: 105.8°C
- Refractive Index: 1.497
Benzeneethanol, a,a,4-trimethyl-, 1-acetate Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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