Cas no 5800-08-8 (1,3-Propanediol, 2-phenoxy-)
1,3-Propanediol, 2-phenoxy- structure
Product Name:1,3-Propanediol, 2-phenoxy-
CAS No:5800-08-8
MF:C9H12O3
MW:168.189783096313
CID:343517
PubChem ID:3030882
Update Time:2025-04-19
1,3-Propanediol, 2-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2-phenoxy-
- 2-Phenoxy-1,3-propanediol
- 2-phenoxypropane-1,3-diol
- 5800-08-8
- NIOSH/TZ1051000
- DTXSID90388708
- IEAGXQUAKGSSHK-UHFFFAOYSA-N
- SCHEMBL1847856
- 2-phenylglycerol
- TZ10510000
-
- Inchi： 1S/C9H12O3/c10-6-9(7-11)12-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
- InChI Key： IEAGXQUAKGSSHK-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(CO)CO
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 106
- 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: 0.6
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
1,3-Propanediol, 2-phenoxy- Related Literature
-
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
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
5800-08-8 (1,3-Propanediol, 2-phenoxy-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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