Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclopedia
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >Organic Intermediate
CIS-1,2-CYCLOPENTANEDIOL structure
CIS-1,2-CYCLOPENTANEDIOL structure

CIS-1,2-CYCLOPENTANEDIOL

Iupac Name:(1R,2S)-cyclopentane-1,2-diol
CAS No.: 5057-98-7
Molecular Weight:102.133
Modify Date.: 2022-11-29 07:28
Introduction:

colourless liquid or white solid

View more+
1. Names and Identifiers
1.1 Name
CIS-1,2-CYCLOPENTANEDIOL
1.2 Synonyms

(1R,2S)-1,2-Cyclopentanediol (1R,2S)-cyclopentane-1,2-diol (1S)-Cyclopentane-1α,2α-diol 1,2-Cyclopentanediol, cis- CIS-1,2-DIHYDROXYCYCLOPENTANE CIS-CYCLOPENTANE-1,2-DIOL MFCD00134192 TIMTEC-BB SBB008502

1.3 CAS No.
5057-98-7
1.4 CID
2733293
1.5 Molecular Formula
C5H10O2 (isomer)
1.6 Inchi
InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+
1.7 InChIkey
VCVOSERVUCJNPR-SYDPRGILSA-N
1.8 Canonical Smiles
C1CC(C(C1)O)O
1.9 Isomers Smiles
C1C[C@H]([C@H](C1)O)O
2. Properties
2.1 Density
1.235
2.1 Melting point
24-28 °C(lit.)
2.1 Boiling point
108-109 °C20 mm Hg(lit.)
2.1 Refractive index
1.477-1.479
2.1 Flash Point
112.7°C
2.1 Precise Quality
102.06800
2.1 PSA
40.46000
2.1 logP
-0.10790
2.1 Appearance
colourless liquid or white solid
2.2 Chemical Properties
colourless liquid or white solid CIS-1,2-CYCLOPENTANEDIOLSupplier
2.3 Color/Form
Clear slightly yellow
2.4 pKa
14.48±0.40(Predicted)
2.5 Stability
Stable. Incompatible with strong oxidizing agents.
2.6 StorageTemp
Sealed in dry,2-8°C
3. Safety and Handling
3.1 Risk Statements
S24/25
3.1 Safety Statements
S24/25
3.1 RIDADR
NONH for all modes of transport
3.1 WGK Germany
3
3.1 Specification

The cis-1,2-Cyclopentanediol with the CAS number 5057-98-7 is also called 1,2-Cyclopentanediol,(1R,2S)-rel-. The IUPAC name is (1S,2R)-cyclopentane-1,2-diol. Its molecular formula is C5H10O2. This chemical belongs to the following product categories: (1)Alcohols; (2)Monomers; (3)Polymer Science; (4)Organic Building Blocks; (5)Oxygen Compounds; (6)Polyols. While using this chemical, you should avoid this chemical contact with skin and eyes.

The properties of the cis-1,2-Cyclopentanediol are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.25; (8)ACD/KOC (pH 7.4): 14.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 26.23 cm3; (15)Molar Volume: 82.6 cm3; (16)Polarizability: 10.4×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 52.65 kJ/mol; (19)Vapour Pressure: 0.0304 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CCC[C@H]1O
(2)InChI: InChI=1/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+
(3)InChIKey: VCVOSERVUCJNPR-SYDPRGILBS

View all
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

8. Other Information
8.0 BRN
1901117
8.1 Chemical Properties
colourless liquid or white solid
9. Computational chemical data
  • Molecular Weight: 102.133g/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==
10. Recommended Suppliers
Global12SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@dycnchem.com
cis-Cyclopentane-1,2-diol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/metric ton
  • Time: 2024/06/17
Inquire
Cis-1,2-Cyclopentanediol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2013/04/25
Inquire
  • Products:organic chemicals; intermediates
  • Tel:86-21-50677091
cis-1,2-Cyclopentanediol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/12/28
Inquire
5057-98-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
  • Tel:+49 3494 636983
cis-1,2-Cyclopentanediol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
11. Realated Product Infomation