Basic information
- CAS
504-60-9- Standard SMILES
C=CC=CC- InChIKey
PMJHHCWVYXUKFD-UHFFFAOYSA-N- Molecular formula
- C5H8
- Average molar mass
- 68.12 g/mol
- Monoisotopic mass
- 68.06260026
Overview
(EZ)-1,3-pentadiene has been reported in Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- Penta-1,3-diene
- IUPAC
- penta-1,3-diene
- English name
- trans-1,3-Pentadiene
- Molecular formula
- C5H8
- Molecular weight
- 68.12
Names & synonyms
Penta-1,3-dieneRefChem:859664PentadieneCH2=CHCH=CHCH3SCHEMBL15302SCHEMBL19263SCHEMBL38401SCHEMBL120438SCHEMBL146249SCHEMBL187825SCHEMBL192531SCHEMBL247265
Show more names
PIPERYLENE1,3-PENTADIENETRANS-PIPERYLENEPentadiene-1,3m-Pentadiene1，3-Piperlene1,3-Pentadinel，3-Pentadiene
SCHEMBL833480SCHEMBL834721SCHEMBL1887575SCHEMBL1887577SCHEMBL4535361SCHEMBL4663458SCHEMBL4665561SCHEMBL4667291
Database identifiers
- CAS
504-60-9- PubChem CID
- 15301
- DTXSID
DTXSID3027160- EC Number
- 207-995-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 87 °C · −87 °C(lit.)
- Boiling point
- 42 °C · 42 °C(lit.)
- Density
- 0.683 g/mL · 0.683 g/mL at 25 °C(lit.)
- vapor density
- 2.4 · 2.4 (vs air)
- vapor pressure
- 6.56 psi · 6.56 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.433(lit.)
- Flash point
- 30 °F · <−30 °F
- storage temp.
- Refrigerator
- Henry's Law Constant
- 1.4 · 1.4×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
- Dielectric constant
- 2.3 · 2.3(25℃)
- Stability
- Stable. Incompatible with strong oxidizing agents. Very flammable - note low flash point and low boiling point.
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
This chemical does not meet GHS hazard criteria for 5.1% (13 of 256) of reports.
Danger
H225 (94.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory InformationStatus: No longer Valid Update: 30-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1772
Hazard Classes and Categories
Flam. Liq. 2 (94.9%)
Flammable liquids - Category 2
Flammable liquids - Category 2
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RZ2465000
- ridadr
- UN 3295 3/PG 2
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn
- safety_code
- 16-23-26-36-62-24/25
- hazard_class
- 3.1
- packing_group
- I
Chemistry & industry
Applications
UsesTRANS-1,3-PENTADIENE is primarily used in the manufacture of polyisoprene resin, and also in organic synthesis.
General DescriptionA clear colorless liquid with an acrid odor. Flash point of -20°F. Boiling point 5°F. A dangerous fire risk. Vapors are irritating to the eyes and respiratory system. Subject to polymerization if heated or contaminated. If the polymerization takes place inside a container, the container may violently rupture. Insoluble in water. Used to make intermediates and polymers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers58 total
Related reactions
24 records
Compound notes
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