2-Cyclopropylethan-1-ol

HCID 137642CAS 2566-44-1

Substructure search Find similar structures

Basic information

Standard SMILES: OCCC1CC1
InChIKey: LUNMJRJMSXZSLC-UHFFFAOYSA-N
Molecular formula: C5H10O
Average molar mass: 86.13 g/mol
Monoisotopic mass: 86.07316494

Names & identifiers

Preferred name: 2-Cyclopropylethan-1-ol
IUPAC: 2-cyclopropylethanol
English name: 2-Cyclopropylethanol
Molecular formula: C5H10O
Molecular weight: 86.13

Names & synonyms

2-cyclopropylethanol2-Cyclopropylethan-1-OlRefChem:471211680-717-92566-44-1Cyclopropaneethanol2-cyclopropyl-ethanol1-Cyclopropyl ethanolMFCD00040762C66TB83XKK2-cyclopropyl ethanol2-cyclopropane ethanol

Show more names

2-Cyclopropylethanol, tech. 85%Cyclopropaneethanol~(2-Hydroxyethyl)cyclopropane

(2-HYDROXYETHYL)CYCLOPROPANENSC250975NSC-250975Cyclopropaneethanol;(2-Hydroxyethyl)cyclopropane; NSC 250975Cyclopropaneethanol;cyclopropylmethyl carbinolUNII-C66TB83XKKSCHEMBL5733

Database identifiers

CAS: 2566-44-1
PubChem CID: 137642
DTXSID: DTXSID50180361
UNII: C66TB83XKK
EC Number: 680-717-9
Nikkaji: J1.089.824B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 39.2

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 137 · 137-138°C
Density: 0.975 · 0.975±0.06 g/cm3(Predicted)
refractive index: 1.4355 · 1.4355
Flash point: 47 °C · 47°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Methanol
form: Oil
pka: 15.16 · 15.16±0.10(Predicted)
color: Clear Colorless
Water Solubility: Miscible with water.
BRN: 2036028 · 2036028
InChI: InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2
InChIKey: LUNMJRJMSXZSLC-UHFFFAOYSA-N
SMILES: C1(CCO)CC1
FDA UNII: 66 TB83XKK · C66TB83XKK
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 10 · 10-36-22
Safety Statements: 16 · 16-23-36/37/39-26
RIDADR: 1987 · 1987
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2906190090 · 2906190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 26 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1987
hs_code: 2906190090
risk_code: 10-36-22
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xn
safety_code: 16-23-36/37/39-26
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a