1-(Propan-2-yl)cyclopropan-1-ol

HCID 14435658

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Basic information

CAS: 57872-32-9
Standard SMILES: CC(C)C1(O)CC1
InChIKey: HWUUJXHUDBJPRY-UHFFFAOYSA-N
Molecular formula: C6H12O
Average molar mass: 100.16 g/mol
Monoisotopic mass: 100.088815

Names & identifiers

Preferred name: 1-(Propan-2-yl)cyclopropan-1-ol
IUPAC: 1-propan-2-ylcyclopropan-1-ol
English name: 1-(propan-2-yl)cyclopropan-1-ol
Molecular formula: C6H12O
Molecular weight: 100.16

Names & synonyms

1-(Propan-2-yl)cyclopropan-1-ol57872-32-9DTXSID40560234RefChem:227041DTXCID705110121-isopropylcyclopropanolCyclopropanol, 1-(1-methylethyl)-MFCD168407961-propan-2-ylcyclopropan-1-ol1-isopropyl cyclopropanolSCHEMBL130745SCHEMBL130746

Show more names

1-Isopropyl-cyclopropanol1-isopropylcyclopropan-1-ol

SCHEMBL767152HWUUJXHUDBJPRY-UHFFFAOYSA-NAKOS011964297PB48575AS-53821DB-121400CS-0183834P17163

Database identifiers

CAS: 57872-32-9
PubChem CID: 14435658
DTXSID: DTXSID40560234
EC Number: 987-662-2

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 72.2

Physicochemical properties

Boiling point: 123.7 · 123.7±8.0 °C(Predicted)
Density: 0.993 · 0.993±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 15.24 · 15.24±0.20(Predicted)
Appearance: colorless liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313