Ethynylcyclohexane (HCID 70263)

Names & identifiers

Preferred name: Ethynylcyclohexane
IUPAC: ethynylcyclohexane
English name: Cyclohexylacetylene
Molecular formula: C8H12
Molecular weight: 108.18

Names & synonyms

EthynylcyclohexaneCyclohexylacetylene931-48-6Cyclohexane, ethynyl-EINECS 213-236-6DTXSID30239265RefChem:596818DTXCID50161756213-236-6CyclohexylethyneCYCLOHEXYL ACETYLENEethynyl-cyclohexane

Show more names

1α-Ethynylcyclohexane1β-Ethynylcyclohexane2-cyclohexylacetylene

MFCD00001513Prothizinic acid; Protizinic acid1-ethynylcyclohexane1alpha-Ethynylcyclohexaneethyne,cyclohexyl-cyclohexane,ethynyl-Cyclohexylacetylene, 98%SCHEMBL187726

Database identifiers

CAS: 931-48-6
PubChem CID: 70263
DTXSID: DTXSID30239265
EC Number: 213-236-6
Nikkaji: J264.097J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 98.5

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 130 · 130-132 °C
Boiling point: 130 · 130-132 °C (lit.)
Density: 0.828 g/mL · 0.828 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4540(lit.)
Flash point: 66 °F · 66 °F(lit.)
storage temp.: Flammables area
form: liquid
color: Yellow to light brown
Water Solubility: Immiscible with water.
BRN: 1815535 · 1815535
InChI: 1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2
InChIKey: SSDZYLQUYMOSAK-UHFFFAOYSA-N
SMILES: C#CC1CCCCC1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-37/39-26
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29021990 · 29021990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2

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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCyclohexylacetylene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 10
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 29021990
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: F
safety_code: 16-37/39-26
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225
Hazard Classifications: Flam. Liq. 2
Precautionary statements: P210

Chemistry & industry

Applications · 3 items

UsesCyclohexylacetylene is used in the preparation of hydrido-vinylidene complexes of osmium, which finds vital intermediates in several homogeneous and heterogeneous catalytic reactions such as alkene olimerization, polymerization and Fischer-Tropsch synthesis.

UsesCyclohexylacetylene (Ethynylcyclohexane) was used in the preparation of [Os[(E)-CH=CHR](=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (R = Ph, Cy).

General DescriptionCyclohexylacetylene (Ethynylcyclohexane) mediates NADPH-dependent loss of cytochrome P-450 on incubation with hepatic microsomes.