Cas no 5413-62-7 (2-Propanol, 1-phenoxy-,2-propanoate)
5413-62-7 structure
Product Name:2-Propanol, 1-phenoxy-,2-propanoate
CAS No:5413-62-7
MF:C12H16O3
MW:208.253643989563
CID:382946
PubChem ID:221659
Update Time:2025-04-19
2-Propanol, 1-phenoxy-,2-propanoate Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-phenoxy-,2-propanoate
- 1-phenoxypropan-2-yl propanoate
- AC1L5ALS
- AC1Q5YBH
- CTK4J9731
- NSC6606
- NSC-6606
- NSC8244
- NSC-8244
- SureCN6560846
- DTXSID90278195
- 5413-62-7
- SCHEMBL6560846
-
- Inchi： 1S/C12H16O3/c1-3-12(13)15-10(2)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
- InChI Key： JGTRETARVZPHAI-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)C(C)COC1C=CC=CC=1
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 185
- 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: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.042
- Boiling Point: 273.8°Cat760mmHg
- Flash Point: 109.5°C
- Refractive Index: 1.49
- PSA: 35.53
2-Propanol, 1-phenoxy-,2-propanoate Related Literature
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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