Basic information
- CAS
816-79-5- Standard SMILES
CC=C(CC)CC- InChIKey
XMYFZAWUNVHVGI-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 3-Ethyl-2-pentene
- IUPAC
- 3-ethylpent-2-ene
- English name
- 3-ETHYL-2-PENTENE
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
3-ETHYL-2-PENTENE816-79-53-Ethylpent-2-ene2-Pentene, 3-ethyl-MZR8TM946IEINECS 212-438-1NSC 74144NSC-74144DTXSID60611593Ethylpent2ene2Pentene, 3ethylRefChem:501338
Show more names
3-ethyl-2-pentenD3-ETHYL-2-PENTENE3-Ethyl-2-pentene>1,1-DIETHYL-1-PROPENE1,1-diethyl-2-methyl-ethylene3-ETHYL-2-PENTENE ISO 9001：2015 REACH
DTXCID4048228MFCD000270791,1-Diethyl-1-propeneXMYFZAWUNVHVGI-UHFFFAOYSA-3-ethyl-pent-2-eneUNII-MZR8TM946I3-Ethyl-2-pentene, 97%SCHEMBL310794
Database identifiers
- CAS
816-79-5- PubChem CID
- 13159
- DTXSID
DTXSID6061159- UNII
- MZR8TM946I
- EC Number
- 212-438-1
- Nikkaji
- J100.677K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure52.8 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -124.4 °C · -124.4°C (estimate)
- Boiling point
- 94 °C · 94 °C(lit.)
- Density
- 0.717 g/mL · 0.717 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.414(lit.)
- Flash point
- 36 °F · 36 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.6 · 1.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
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, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See 1-Pentene, 3,4-dimethyl-,
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 2
- hs_code
- 2901.29.1050
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xi
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentene, 3-ethyl-: INACTIVE
Applications
Uses3-Ethyl-2-pentene may be used in the preparation of:(2E,3R)-2-hydroxy-3,4-dimethyl-N-phenylpent-4-enamide3-ethyl-1-pentene5-ethyl-2,4-dimethyl-4-hepten-3-one
General Description3-Ethyl-2-pentene is a trisubstituted olefin.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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