2,3-Dimethyl-1-butene

HCID 11249

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Basic information

CAS: 27416-06-4
Standard SMILES: C=C(C)C(C)C
InChIKey: OWWIWYDDISJUMY-UHFFFAOYSA-N
Molecular formula: C6H12
Average molar mass: 84.16 g/mol
Monoisotopic mass: 84.09390038

Names & identifiers

Preferred name: 2,3-Dimethyl-1-butene
IUPAC: 2,3-dimethylbut-1-ene
English name: 2,3-Dimethyl-1-butene
Molecular formula: C6H12
Molecular weight: 84.16

Names & synonyms

2,3-DIMETHYL-1-BUTENE563-78-02,3-Dimethylbut-1-ene1-Butene, 2,3-dimethyl-2,3-dimethylbutene2,3-Dimethylbutene-127416-06-4MFCD00008923NSC-7390682885MLV85UNII-82885MLV851-Butene, 2,3-dimethyl-; 2,3-Dimethyl-1-butene; 1-Isopropyl-1-methylethylene; 2,3-Dimethyl-1-butylene; 2-Isopropylpropene; NSC 73906

Show more names

1-METHYL-1-ISOPROPYLETHYLENE

NSC73906EINECS 209-262-2NSC 739062,3-dimethyl butene2-ISOPROPYLPROPENE2,3-dimethyl-1-butyleneEC 209-262-2SCHEMBL19028

Database identifiers

CAS: 27416-06-4、563-78-0
PubChem CID: 11249
DTXSID: DTXSID7073195
UNII: 82885MLV85
EC Number: 209-262-2
Nikkaji: J43.469H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 51.1

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Vapor Pressure252.0 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 158 °C · −158 °C(lit.)
Boiling point: 56 °C · 56 °C(lit.)
Density: 0.68 g/mL · 0.68 g/mL at 25 °C(lit.)
vapor pressure: 412 mm · 412 mm Hg ( 37.7 °C)
refractive index: 20 · n20/D 1.389(lit.)
Flash point: 1 °F · −1 °F
Hazard Codes: F,Xn
Risk Statements: 11 · 11-65
Safety Statements: 16 · 16-33-62
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3

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, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+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 86 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.