2-Methyl-2-pentene

HCID 12243CAS 37275-41-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCC=C(C)C
InChIKey: JMMZCWZIJXAGKW-UHFFFAOYSA-N
Molecular formula: C6H12
Average molar mass: 84.16 g/mol
Monoisotopic mass: 84.09390038

Names & identifiers

Preferred name: 2-Methyl-2-pentene
IUPAC: 2-methylpent-2-ene
English name: 2-methylpent-2-ene
Molecular formula: C6H12
Molecular weight: 84.16

Names & synonyms

2-METHYL-2-PENTENE625-27-42-Pentene, 2-methyl-7KOG6SH4S6NSC-73910DTXSID8073217RefChem:475176DTXCID8043365210-883-62-Methylpent-2-ene4-Methyl-3-pentenePentene, methyl-

Show more names

UNII-7KOG6SH4S6EINECS 210-883-6NSC 73910MFCD0000938237275-41-51,1-Dimethyl-1-buteneMETHYLPENTENENSC73910

Database identifiers

CAS: 37275-41-5、625-27-4
PubChem CID: 12243
DTXSID: DTXSID8073217
UNII: 7KOG6SH4S6
EC Number: 210-883-6
Nikkaji: J43.506F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 47

Experimental & physicochemical properties

Vapor Pressure158.0 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3 items

607；587.18；608；605；604.6；606.3；606.7；607.3；608；609；605；605；606；606；606；606；606.2；607；607；606

597.7；598；597.9；598.1；610.5；610.7；610.9；611.1；611.3；611.5；598；598；597.3；595；598；598；597.56；600；595；598

642；654

Physicochemical properties

EPA Substance Registry System: Pentene, methyl- (37275-41-5)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (71.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (28.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (28.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (28.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H336 (10.5%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

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 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryCauses general anesthesia and respiratory depression in inhalation lethal-concentration studies of mice and rats; [RTECS] May cause irritation; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (71.1%)；Skin Irrit. 2 (28.9%)；Eye Irrit. 2 (28.9%)；STOT SE 3 (28.9%)；STOT SE 3 (10.5%)