trans-1,2-Cyclopentanediol

HCID 225711CAS 5057-99-8

Substructure search Find similar structures

Basic information

Standard SMILES: O[C@@H]1CCC[C@H]1O
InChIKey: VCVOSERVUCJNPR-RFZPGFLSSA-N
Molecular formula: C5H10O2
Average molar mass: 102.13 g/mol
Monoisotopic mass: 102.06807956

Names & identifiers

Preferred name: trans-1,2-Cyclopentanediol
IUPAC: trans-(1R,2R)-cyclopentane-1,2-diol
English name: (1R)-trans-1,2-Cyclopentanediol
Molecular formula: C5H10O2
Molecular weight: 102.13

Names & synonyms

5057-99-8trans-1,2-Cyclopentanediol1,2-Cyclopentanediol, trans-RefChem:190578VCVOSERVUCJNPR-RFZPGFLSSA-N(1r,2r)-cyclopentane-1,2-diol930-46-1(1R,2R)-trans-1,2-Cyclopentanediol(1R)-TRANS-1,2-CYCLOPENTANEDIOL(+/-)-trans-1,2-CyclopentanediolMFCD0008258086703-52-8

Show more names

1,2-Cyclopentanediol, (1R,2R)-(1R,2R)-(-)-TRANS-1,2-CYCLOPENTANEDIOL

(1~{r},2~{r})-Cyclopentane-1,2-Diol(1R,2R)-1,2-Cyclopentanediol1,2-Cyclopentanediol #1,2-trans-cyclopentanediol( inverted exclamation markA)-trans-1,2-Cyclopentanediol1,2-Cyclopentanediol, (1R,2R)-rel-(trans)-cyclopentane-1,2-diolNSC15389

Database identifiers

CAS: 5057-99-8、930-46-1
PubChem CID: 225711
EC Number: 225-757-6、829-081-8
Nikkaji: J384.067K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 55

Experimental & physicochemical properties

Physical DescriptionMelting point = 54-56 deg C; [Aldrich MSDS]

Physicochemical properties

Melting point: 47 · 47-51 °C(lit.)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 3 · 3-10

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Cyclopentanol.

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

F: 3-10
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P