Cas no 15913-17-4 (Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester)
15913-17-4 structure
Product Name:Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester
CAS No:15913-17-4
MF:C12H16O3
MW:208.253643989563
CID:170134
PubChem ID:225859
Update Time:2025-04-19
Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester
- propyl 2-hydroxy-2-(4-methylphenyl)acetate
- 4-methyl-mandelic acid-propyl ester
- 4-Methyl-mandelsaeure-propylester
- AC1L5ECD
- AC1Q66ME
- AR-1L2427
- CTK4C9969
- NSC15696
- propyl hydroxy(4-methylphenyl)acetate
- SureCN4295604
- DTXSID30280151
- NSC-15696
- SCHEMBL4295604
- 15913-17-4
-
- Inchi： 1S/C12H16O3/c1-3-8-15-12(14)11(13)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3
- InChI Key： KUMFIUNBUPWSEM-UHFFFAOYSA-N
- SMILES： O(C(C(C1C=CC(C)=CC=1)O)=O)CCC
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: 2.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.097
- Boiling Point: 318.3°Cat760mmHg
- Flash Point: 130.6°C
- Refractive Index: 1.521
- PSA: 46.53
- LogP: 1.98160
Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
15913-17-4 (Benzeneacetic acid, a-hydroxy-4-methyl-, propyl ester) Related Products
- 21210-43-5(Methyl (S)-(+)-mandelate)
- 4358-87-6(Methyl (S)-(+)-mandelate)
- 890-98-2(Benzyl DL-Mandelate)
- 51019-43-3((-)-O-Acetyl-D-mandelic acid)
- 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)
Recommended suppliers
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
