Cas no 29544-12-5 (Carbamic acid,hydroxymethyl-, 3,4,5-trimethylphenyl ester (8CI,9CI))
29544-12-5 structure
Product Name:Carbamic acid,hydroxymethyl-, 3,4,5-trimethylphenyl ester (8CI,9CI)
CAS No:29544-12-5
MF:C11H15NO3
MW:209.241703271866
CID:275210
PubChem ID:207270
Update Time:2025-04-19
Carbamic acid,hydroxymethyl-, 3,4,5-trimethylphenyl ester (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,hydroxymethyl-, 3,4,5-trimethylphenyl ester (8CI,9CI)
- (3,4,5-trimethylphenyl) N-(hydroxymethyl)carbamate
- 29544-12-5
- Carbamic acid, (hydroxymethyl)-, 3,4,5-trimethylphenyl ester
- Phenol, 3,4,5-trimethyl-, (hydroxymethyl)carbamate
- DTXSID80183729
- 3,4,5-Trimethylphenyl N-hydroxymethylcarbamate
- Hydroxymethylcarbamic acid 3,4,5-trimethylphenyl ester
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- Inchi： 1S/C11H15NO3/c1-7-4-10(5-8(2)9(7)3)15-11(14)12-6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
- InChI Key： IXCHGQAKYHQRAP-UHFFFAOYSA-N
- SMILES： O(C(NCO)=O)C1C=C(C)C(C)=C(C)C=1
Computed Properties
- Exact Mass: 209.10525
- Monoisotopic Mass: 209.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 208
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- Density: 1.148
- Boiling Point: 347.1°Cat760mmHg
- Flash Point: 163.7°C
- Refractive Index: 1.54
- PSA: 58.56
Carbamic acid,hydroxymethyl-, 3,4,5-trimethylphenyl ester (8CI,9CI) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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2. 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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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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