(1S)-TRANS-1,2-CYCLOPENTANEDIOL
- Iupac Name：(1S,2S)-cyclopentane-1,2-diol
- CAS No.: 63261-45-0
- Molecular Weight：102.13
- Modify Date.: 2022-11-11 11:11
1. Names and Identifiers
- 1.1 Name
- (1S)-TRANS-1,2-CYCLOPENTANEDIOL
- 1.2 Synonyms
(1S)-trans-1,2-Cyclopentanediol, (1S,2S)-trans-1,2-Cyclopentanediol (1S,2S)-(+)-TRANS-1,2-CYCLOPENTANEDIOL (1S,2S)-cyclopentane-1,2-diol (1S,2S)-TRANS-1,2-CYCLOPENTANEDIOL 1,2-Cyclopentanediol, (1S,2S)-
- 1.3 CAS No.
- 63261-45-0
- 1.4 CID
- 11400736
- 1.5 EINECS(EC#)
- 225-757-6
- 1.6 Molecular Formula
- C5H10O2 (isomer)
- 1.7 Inchi
- InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m0/s1
- 1.8 InChIkey
- VCVOSERVUCJNPR-WHFBIAKZSA-N
- 1.9 Canonical Smiles
- C1CC(C(C1)O)O
- 1.10 Isomers Smiles
- C1C[C@@H]([C@H](C1)O)O
2. Properties
- 2.1 Density
- 1.235
- 2.1 Melting point
- 46-50 °C
- 2.1 Boiling point
- 136 °C/21.5 mmHg(lit.)
- 2.1 Refractive index
- 1.547
- 2.1 Flash Point
- 113 °C
- 2.1 Precise Quality
- 102.06800
- 2.1 PSA
- 40.46000
- 2.1 logP
- -0.10790
- 2.1 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Safety Statements
- 22-24/25
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
63261-45-0Total: 13 Synthesis Route
8. Computational chemical data
- Molecular Weight: 102.13g/mol
- Molecular Formula: C5H10O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 102.068079557
- Monoisotopic Mass: 102.068079557
- Complexity: 55.1
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 40.5
- Heavy Atom Count: 7
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAEAAABAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAA==
9. Recommended Suppliers
-
- Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
- Tel:86-27-87465837
-
-
-
-
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/04/01
Inquire
10. Realated Product Infomation
skype
