1-Ethynyl-4-(1-methylethyl)benzene

HCID 637501

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Basic information

CAS: 23152-99-0
Standard SMILES: C#Cc1ccc(C(C)C)cc1
InChIKey: CODCGGILXPHCLE-UHFFFAOYSA-N
Molecular formula: C11H12
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.09390038

Names & identifiers

Preferred name: 1-Ethynyl-4-(1-methylethyl)benzene
IUPAC: 1-ethynyl-4-propan-2-ylbenzene
English name: 4'-ISOPROPYLPHENYL ACETYLENE
Molecular formula: C11H12
Molecular weight: 144.21

Names & synonyms

1-ethynyl-4-(1-methylethyl)benzeneRefChem:4327091-ethynyl-4-isopropylbenzene23152-99-04'-Isopropylphenyl acetylene1-ethynyl-4-(propan-2-yl)benzenebenzene, 1-ethynyl-4-(1-methylethyl)-4-(1-methylethyl)phenylethyne1-ethynyl-4-propan-2-ylbenzeneMFCD038399884-isopropylphenylacetylene4'-Isopropylphenylacetylene

Show more names

p-ethynylcumenecumene,p-ethynyl-(p-Isopropylphenyl)acetylene1-ETHYNYL-4-ISOPROPYL-BENZENE1-ETHYNYL-4-(1-METHYLETHYL)-BENZENEbenzene,1-ethynyl-4-(1-methylethyl)-1-Ethynyl-4-isopropylbenzene - [E54481]

p-isopropylphenylacetylenA4897FT-06383024-(2-propyl)phenylacetyleneSCHEMBL624888SCHEMBL1610617DTXSID10945832CODCGGILXPHCLE-UHFFFAOYSA-N

Database identifiers

CAS: 23152-99-0
PubChem CID: 637501
DTXSID: DTXSID10945832
EC Number: 676-225-9
Nikkaji: J3.460.441J

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 150

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point: 193.8 · 193.8±19.0 °C(Predicted)
Density: 0.91 · 0.91±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P304+P340-P305+P351+P338
Risk Statements: 36 · 36/37/38-43
Safety Statements: 26 · 26-36/37/39-36/37
HS Code: 2902900000 · 2902900000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

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