Isobutylcyclopentane
Basic information
- CAS
3788-32-7- Standard SMILES
CC(C)CC1CCCC1- InChIKey
DPUYDFJBHDYVQM-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- Isobutylcyclopentane
- IUPAC
- 2-methylpropylcyclopentane
- English name
- iso-Butylcyclopentane
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
Isobutylcyclopentane3788-32-7(2-methylpropyl)cyclopentaneEINECS 223-257-2DTXSID90191315NSC 74180RefChem:791653DTXCID00113806223-257-22-methylpropylcyclopentaneIso-butylcyclopentaneCyclopentane, isobutyl-
Show more names
(2-methylpropyl)cyclo-pentane(2-methylpropyl)-cyclopentaneIsobutylcyclopentane in cyclohexaneISO-BUTYLCYCLOPENTANE ISO 9001：2015 REACH
Cyclopentane, (2-methylpropyl)-NSC-74180NSC74180ISOBUTYL CYCLOPENTANESCHEMBL5021Y4JK74TAJ2SCHEMBL198169SCHEMBL1524683
Database identifiers
- CAS
3788-32-7- PubChem CID
- 77414
- DTXSID
DTXSID90191315- UNII
- Y4JK74TAJ2
- EC Number
- 223-257-2
- Nikkaji
- J100.550B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [ChemSampCo MSDS]
Physicochemical properties
- Melting point
- -115.22 °C · -115.22°C
- Boiling point
- 147.97 °C · 147.97°C
- Density
- 0.7769 · 0.7769
- refractive index
- 1.4273 · 1.4273
- Henry's Law Constant
- 7.2 · 7.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P330-P391-P501
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
Warning
H226 (13.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryOverexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See Methylcyclopentane.
Hazard Classes and CategoriesFlam. Liq. 3 (13.3%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P264-P270-P273-P301+P312-P330-P391-P501
Suppliers
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Related reactions
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Compound notes
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