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Methylcyclopropane

HCID 11657
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
594-11-6
Standard SMILES
CC1CC1
InChIKey
VNXBKJFUJUWOCW-UHFFFAOYSA-N
Molecular formula
C4H8
Average molar mass
56.11 g/mol
Monoisotopic mass
56.06260026

Overview

do not confuse with MCP cpd (1-methylcyclopropene)

Names & identifiers

Preferred name
Methylcyclopropane
IUPAC
methylcyclopropane
English name
methylcyclopropane
Molecular formula
C4H8
Molecular weight
56.11

Names & synonyms

METHYLCYCLOPROPANECyclopropane, methyl-594-11-61-MethylcyclopropaneLK35EZ3VK81-MC propaneDTXSID5060481RefChem:158167DTXCID5042615209-825-2EINECS 209-825-2cyclopropylmethane
Show more names
UNII-LK35EZ3VK8SCHEMBL1181SCHEMBL1182SCHEMBL6740SCHEMBL12113SCHEMBL38170SCHEMBL527046SCHEMBL634582

Database identifiers

CAS
594-11-6
PubChem CID
11657
DTXSID
DTXSID5060481
UNII
LK35EZ3VK8
EC Number
209-825-2
Nikkaji
J467G

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
4
Formal charge
0
Complexity
19.2

Experimental & physicochemical properties

SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Melting point
-177.3 °C · -177.3°C
Boiling point
1.85 °C · 1.85°C
Density
0.6912 · 0.6912
refractive index
1.3719 · 1.3719 (estimate)
LogP
2.18 · 2.180 (est)
FDA UNII
35 EZ3VK8 · LK35EZ3VK8
EPA Substance Registry System
Cyclopropane, methyl- (594-11-6)
RIDADR
3161 · 3161
TSCA
TSCA listed
HazardClass
2.1 · 2.1

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Hazards SummarySee Ethylcyclopropane.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

tsca
TSCA listed
ridadr
3161
hazard_class
2.1

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclopropane, methyl-: ACTIVE

Upstream & downstream products

Downstream products

Cylopropylmethyl chloride4-CHLORO-1-BUTENE

Suppliers3 total

Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]

Related reactions

1 records
New reaction record
HRID 140613 reaction equation
HRID 140613As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes