(3E)-3-methylpenta-1,3-diene
Basic information
- CAS
2787-43-1- Standard SMILES
C=C/C(C)=C/C- InChIKey
BOGRNZQRTNVZCZ-AATRIKPKSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- (3E)-3-methylpenta-1,3-diene
- IUPAC
- (3E)-3-methylpenta-1,3-diene
- English name
- 3-Methyl-1,3-pentadiene
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
(3E)-3-methylpenta-1,3-dieneDTXSID701015954RefChem:400681DTXCID701474110628-214-5InChI=1/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-53-METHYL-1,3-PENTADIENE4549-74-02787-43-1trans-3-Methyl-1,3-PentadieneMFCD000092771,3-Pentadiene, 3-methyl-, (E)-
Show more names
(Z)-CH2=CHC(CH3)=CHCH3(3E)-3-Methyl-1,3-pentadiene3-methyl-1,trans-3-pentadiene
X790255XAW3-Methyl-1,3-pentadiene, (3E)-1,3-pentadiene, 3-methyl-, (3E)-(E)-3-Methyl-1,3-pentadieneSCHEMBL135358SCHEMBL831271SCHEMBL834273SCHEMBL834400
Database identifiers
- CAS
2787-43-1、4549-74-0- PubChem CID
- 638069
- DTXSID
DTXSID701015954- UNII
- X790255XAW
- EC Number
- 628-214-5
- Nikkaji
- J133.079I、J256.591I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -94.9 °C · -94.9°C (estimate)
- Boiling point
- 75 · 75-77 °C(lit.)
- Density
- 0.73 g/mL · 0.73 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.451(lit.)
- Flash point
- 20 °F · −20 °F
- Henry's Law Constant
- 7.2 · 7.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.43 · 2.4300000000000002
- FDA UNII
- 790255 XAW · X790255XAW
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 2461 · UN 2461 3/PG 2
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
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2461 3/PG 2
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
Suppliers
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Related reactions
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Compound notes
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