Cas no 29664-59-3 (Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester)
29664-59-3 structure
Product Name:Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester
CAS No:29664-59-3
MF:C12H16O3
MW:208.253643989563
CID:274089
PubChem ID:224763
Update Time:2025-04-19
Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester
- 2-Cyan-acrylsaeure-isobutylester
- 2-Cyano-2-propenoic acid 2-methylpropyl ester
- 2-cyano-acrylic acid isobutyl ester
- 2-methylpropyl 2-cyanoprop-2-enoate
- Bucrilat
- Bucrylate
- DL-mandelic acid-isobutyl ester
- DL-Mandelsaeure-isobutylester
- isobutyl 2-cyanoacrylate
- isobutyl 2-hydroxy-2-ph
- isobutyl cyanoacrylate
- isobutyl mandelate
- ISO-BUTYL2-CYANOACRYLATE
- mandelic acid-isobutyl ester
- Mandelsaeure-isobutylester
- NSC13533
- Isobutyl hydroxy(phenyl)acetate #
- 29664-59-3
- NSC-13533
- UXPTXOYCOCXVQX-UHFFFAOYSA-N
- Benzeneacetic acid, .alpha.-hydroxy-, 2-methylpropyl ester
-
- Inchi： 1S/C12H16O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
- InChI Key： UXPTXOYCOCXVQX-UHFFFAOYSA-N
- SMILES： O(C(C(C1C=CC=CC=1)O)=O)CC(C)C
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 195
- 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: 2.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.093
- Boiling Point: 307.8°Cat760mmHg
- Flash Point: 124.7°C
- Refractive Index: 1.517
- PSA: 46.53
- LogP: 1.91920
Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
29664-59-3 (Benzeneacetic acid, a-hydroxy-, 2-methylpropyl ester) Related Products
- 21210-43-5(Methyl (S)-(+)-mandelate)
- 4358-87-6(Methyl (S)-(+)-mandelate)
- 4358-88-7(ethyl mandelate)
- 890-98-2(Benzyl DL-Mandelate)
- 774-40-3(Ethyl mandelate)
- 97415-09-3(D-(-)-Mandelic Acid Benzyl Ester)
- 62173-99-3(L-(+)-Mandelic Acid Benzyl Ester)
- 10606-72-1(Ethyl (R)-(-)-mandelate)
- 20698-91-3(Methyl (R)-(-)-Mandelate)
- 13704-09-1(Ethyl (S)-(+)-mandelate)
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