Basic information
- CAS
760-21-4- Standard SMILES
C=C(CC)CC- InChIKey
RYKZRKKEYSRDNF-UHFFFAOYSA-N- Molecular formula
- C6H12
- Average molar mass
- 84.16 g/mol
- Monoisotopic mass
- 84.09390038
Names & identifiers
- Preferred name
- 2-Ethyl-1-butene
- IUPAC
- 3-methylidenepentane
- English name
- 2-ETHYL-1-BUTENE
- Molecular formula
- C6H12
- Molecular weight
- 84.16
Names & synonyms
2-ETHYL-1-BUTENE760-21-43-Methylenepentane3-methylidenepentanePentane, 3-methylene-2-Ethylbut-1-ene1-Butene, 2-ethyl-1,1-Diethylethene1,1-diethylethyleneMFCD00009341O5MH5V756ENSC-74120
Show more names
ETHYLBUTENE(C2H5)2C=CH22-Butyl-1-butene2-ethyl-but-1-ene3-methylene-pentan
UNII-O5MH5V756ENSC74120EINECS 212-078-5NSC 74120SCHEMBL196972-Ethyl-1-butene, 95%SCHEMBL120095SCHEMBL139642
Database identifiers
- CAS
760-21-4- PubChem CID
- 12970
- DTXSID
DTXSID0061080- UNII
- O5MH5V756E
- EC Number
- 212-078-5
- Nikkaji
- J42.733K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Vapor Pressure175.0 [mmHg]
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 131.5 · −131.5-−131 °C(lit.)
- Boiling point
- 64 · 64-65 °C(lit.)
- Density
- 0.689 g/mL · 0.689 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.396(lit.)
- Flash point
- 15 °F · −15 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 92 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pentane, 3-methylene-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
May cause irritation and skin sensitization; [Sigma-Aldrich MSDS] Search for (760-21-4[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results; [PubMed] See 3,3-Dimethyl-1-butene, 2,3-Dimethyl-1-butene, 3-Methyl-1-butene, 2-Methyl-1-butene, and Butene, all isomers.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentane, 3-methylene-: ACTIVE
Applications
UsesOrganic synthesis of flavors, perfumes, medicines, dyes, resins.
Uses2-Ethyl-1-butene is used as an intermediate in organic synthesis and pharmaceuticals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
Loading…