3,3-Dimethylpent-1-ene
Basic information
- CAS
3404-73-7- Standard SMILES
C=CC(C)(C)CC- InChIKey
TXBZITDWMURSEF-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 3,3-Dimethylpent-1-ene
- IUPAC
- 3,3-dimethylpent-1-ene
- English name
- 3,3-Dimethyl-1-pentene
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
3,3-DIMETHYL-1-PENTENE3,3-Dimethylpent-1-eneSC216MQI07EINECS 222-286-8NSC-74136NSC 74136RefChem:485597222-286-83404-73-71-Pentene, 3,3-dimethyl-UNII-SC216MQI07NSC74136
Show more names
3,3-dimethyl-pent-1-ene3,3-DIMETHYL-1-PENTENE 99+%
SCHEMBL182083SCHEMBL2262971SCHEMBL3556003SCHEMBL6193701SCHEMBL6270561DTXSID9075450SCHEMBL10322788SCHEMBL17219158
Database identifiers
- CAS
3404-73-7- PubChem CID
- 18852
- DTXSID
DTXSID9075450- UNII
- SC216MQI07
- EC Number
- 222-286-8
- Nikkaji
- J121.134J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -134.38 °C · -134.38°C
- Boiling point
- 77 °C · 77 °C
- Density
- 0.7 · 0.70
- refractive index
- 1.3958 · 1.3958
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Hexanes (Slightly)
- form
- Oil
- color
- Colourless
- Henry's Law Constant
- 2.1 · 2.1×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Stability
- Volatile
- FDA UNII
- 216 MQI07 · SC216MQI07
- EPA Substance Registry System
- 1 · 1-Pentene, 3,3-dimethyl- (3404-73-7)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H318
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310
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, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H225-H318
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesThe solvation descriptor of 3,3-Dimethyl-1-pentene is calculated by using two methods of Havelec-Sevcik and Platts-Butina. These descriptors were used to estimate the gas chromatography retention.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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