Cas no 27711-63-3 (1,3-Benzenedimethanol,5-methyl-)
27711-63-3 structure
Product Name:1,3-Benzenedimethanol,5-methyl-
CAS No:27711-63-3
MF:C9H12O2
MW:152.190382957458
CID:288791
PubChem ID:316179
Update Time:2025-04-19
1,3-Benzenedimethanol,5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedimethanol,5-methyl-
- [3-(hydroxymethyl)-5-methylphenyl]methanol
- (3-hydroxymethyl-5-methyl-phenyl)-methanol
- 1,3-bis-hydroxymethyl-5-methyl-benzene
- 1,3-Bis-hydroxymethyl-5-methyl-benzol
- 11.31-Dioxy-1.3.5-trimethyl-benzol
- 3,5-bis(hydroxymethyl)toluene
- AC1L7T9V
- NSC243674
- SureCN501769
- DTXSID80311489
- AMY30402
- F95344
- 27711-63-3
- SCHEMBL501769
- A1-49063
- J-400708
- 1,3-BenzenediMethanol, 5-Methyl
- NSC-243674
- 5-Methyl-1,3-benzenedimethanol
- (5-Methyl-1,3-phenylene)dimethanol
-
- MDL： MFCD14636222
- Inchi： 1S/C9H12O2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4,10-11H,5-6H2,1H3
- InChI Key： RQYHAFYMNBWIML-UHFFFAOYSA-N
- SMILES： OCC1C=C(C)C=C(CO)C=1
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 102
- 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
- Topological Polar Surface Area: 40.5A^2
- XLogP3: 0.5
Experimental Properties
- Density: 1.141
- Boiling Point: 308.5°Cat760mmHg
- Flash Point: 152.6°C
- Refractive Index: 1.573
- PSA: 40.46
- LogP: 0.97960
1,3-Benzenedimethanol,5-methyl- Related Literature
-
E. Abou Nakad,J. Chaud,C. Morville,F. Bolze,A. Specht Photochem. Photobiol. Sci. 2020 19 1122
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Gaobin Zhang,Yanfei Zhao,Bo Peng,Zheng Li,Chenchen Xu,Yi Liu,Chengwu Zhang,Nicolas H. Voelcker,Lin Li,Wei Huang J. Mater. Chem. B 2019 7 2252
-
Kaiqing Ma,He Yang,Tianruo Shen,Yongkang Yue,Lingling Zhao,Xiaogang Liu,Fangjun Huo,Caixia Yin Chem. Sci. 2022 13 3706
27711-63-3 (1,3-Benzenedimethanol,5-methyl-) Related Products
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- 285977-71-1(Benzenemethan-d2-ol-13C(9CI))
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- 4464-18-0(1,3,5-Benzenetrimethanol)
- 587-03-1(3-Methylbenzyl alcohol)
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