2-Methyl-1,4-pentadiene
Basic information
- CAS
763-30-4- Standard SMILES
C=CCC(=C)C- InChIKey
DRWYRROCDFQZQF-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- 2-Methyl-1,4-pentadiene
- IUPAC
- 2-methylpenta-1,4-diene
- English name
- 2-Methyl-1,4-pentadiene
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
2-METHYL-1,4-PENTADIENE763-30-42-Methylpenta-1,4-diene1,4-Pentadiene, 2-methyl-BRN 1697214TG8TS4U1STEINECS 212-109-2DTXSID802271724-01-00-01020 (Beilstein Handbook Reference)RefChem:474805DTXCID80149663InChI=1/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H
Show more names
2-methyl-4-pentadiene4-METHYL-1,4-PENTADIENE2-methyl-penta-1,4-diene2-Methyl-1,4-pentadiene>
MFCD00008601UNII-TG8TS4U1STSCHEMBL135896SCHEMBL540185SCHEMBL834141SCHEMBL834515SCHEMBL834863SCHEMBL836144
Database identifiers
- CAS
763-30-4- PubChem CID
- 12987
- DTXSID
DTXSID80227172- UNII
- TG8TS4U1ST
- EC Number
- 212-109-2
- Nikkaji
- J49.925K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 60.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -94.9 °C · -94.9°C (estimate)
- Boiling point
- 56 °C · 56 °C(lit.)
- Density
- 0.692 g/mL · 0.692 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.406(lit.)
- Flash point
- 28 °F · 28 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 8.8 · 8.8×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 8 TS4U1ST · TG8TS4U1ST
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- RZ2473500
- ridadr
- UN 2461 3/PG 2
- hs_code
- 2901.29.5000
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F
- safety_code
- 16-29-33
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H304-H225
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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