Basic information
- CAS
16545-68-9- Standard SMILES
OC1CC1- InChIKey
YOXHCYXIAVIFCZ-UHFFFAOYSA-N- Molecular formula
- C3H6O
- Average molar mass
- 58.08 g/mol
- Monoisotopic mass
- 58.04186481
Overview
Cyclopropanol is a cyclopropane in which a hydrogen atom is replaced by a hydroxy group. It is an aliphatic alcohol and a member of cyclopropanes.
Names & identifiers
- Preferred name
- Cyclopropanol
- IUPAC
- cyclopropanol
- English name
- cyclopropanol
- Molecular formula
- C3H6O
- Molecular weight
- 58.08
Names & synonyms
Cyclopropanol16545-68-9TK7N9F9R3YDTXSID40167949RefChem:129941DTXCID7090440690-605-1HydroxycyclopropaneCyclopropyl alcoholMFCD19707103C3H6OUNII-TK7N9F9R3Y
Show more names
opropanoL2-CyclopropanolCyclopropane-1-ol(1α)-Cyclopropanol16545-68-9, CFCD16545689Cyclopropanol (7CI, 8CI, 9CI, ACI)1H-Benzimidazole-1-carboxylicacid,2,3-dihydro-3-oxo-,ethylester
CHEBI:188444AKOS022183551SB40661SY028267CS-0059134EN300-100685AMY35209FT-0698757
Database identifiers
- CAS
16545-68-9- PubChem CID
- 123361
- DTXSID
DTXSID40167949- ChEBI
CHEBI:188444- UNII
- TK7N9F9R3Y
- EC Number
- 690-605-1
- Nikkaji
- J82.517D
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 22.5
Experimental & physicochemical properties
SpringerMaterials PropertiesAtomic environment
Physicochemical properties
- Melting point
- 180 ℃ · 180℃
- Boiling point
- 101 · 101-102℃ (760 Torr)
- Density
- 9.911 g/cm3 · 9.9110 g/cm3
- refractive index
- 1.4129 · 1.4129 (589.3 nm 20℃)
- storage temp.
- 2 · 2-8°C
- pka
- 15.31 · 15.31±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
- InChIKey
- YOXHCYXIAVIFCZ-UHFFFAOYSA-N
- SMILES
- C1(O)CC1
- FDA UNII
- 7 N9F9R3Y · TK7N9F9R3Y
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (88.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (88.4%)
Safety data
- ridadr
- UN1993
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_class
- 3
- Hazard statements
- H318-H301
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
DescriptionCyclopropanols can be readily synthesized via synthetic transformations such as the Kulinkovich cyclopropanation and the Simmons-Smith reaction [1]. Due to the high strains built intrinsically in the three-membered ring, cyclopropanols and their derivatives are highly reactive and can undergo various ring opening/expansion/fragmentation reactions. A significant amount of these ring opening/expansion/fragmentation reactions are catalyzed/promoted by transition metal complexes. In many of these cases, cyclopropanols and their derivatives are considered as the equivalents of homoenolates or β-alkyl radicals.
UsesCyclopropanol is a basic building block.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
22 records
Compound notes
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