CAS 54140-30-6 Cyclopentylacetylene (HCID 136725)

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Basic information

CAS: 54140-30-6
Standard SMILES: C#CC1CCCC1
InChIKey: TXVJSWLZYQMWPC-UHFFFAOYSA-N
Molecular formula: C7H10
Average molar mass: 94.15 g/mol
Monoisotopic mass: 94.07825032

Names & identifiers

Preferred name: Cyclopentylacetylene
IUPAC: ethynylcyclopentane
English name: Cyclopentylacetylene
Molecular formula: C7H10
Molecular weight: 94.15

Names & synonyms

Cyclopentylacetylene930-51-8RefChem:581095628-385-6EthynylcyclopentaneCyclopentylethyneCyclopentyl acetyleneMFCD00013744Cyclopentane, ethynyl-54140-30-6Cyclopentylacetylene, 90%cyclopentylacetylene 90%

Show more names

CYCLOPENTYLACETYLENE, 90+%CYCLOPENTYLACETYLENE, 90+%CYCLOPENTYLACETYLENE, 90+%CYCLOPENTYLACETYLENE, 90+%

cyclopentylacetylene,95%cyclopentane, ethynyl- (7ci, 8ci, 9ci)cyclopentylacetylene, 95% 1grethynylcylopentaneethynyl-cyclopentaneCyclopentyl-acetylencyclopentylacetyleneethynylcyclopentaneEthynylcyclopentane #

Database identifiers

CAS: 54140-30-6、930-51-8
PubChem CID: 136725
DTXSID: DTXSID4074726
EC Number: 628-385-6
Nikkaji: J899.293B

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 87.9

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point: 107 · 107-109 °C
Density: 0.812 g/mL · 0.812 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.432(lit.)
Flash point: 34 °F · 34 °F
storage temp.: Flammables area
form: Liquid
color: Clear yellow
InChI: 1S/C7H10/c1-2-7-5-3-4-6-7/h1,7H,3-6H2
InChIKey: TXVJSWLZYQMWPC-UHFFFAOYSA-N
SMILES: C#CC1CCCC1
EPA Substance Registry System: Cyclopentane, ethynyl- (930-51-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.