Basic information
- CAS
591-93-5- Standard SMILES
C=CCC=C- InChIKey
QYZLKGVUSQXAMU-UHFFFAOYSA-N- Molecular formula
- C5H8
- Average molar mass
- 68.12 g/mol
- Monoisotopic mass
- 68.06260026
Overview
1,4-pentadiene appears as a colorless liquid. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Names & identifiers
- Preferred name
- 1,4-Pentadiene
- IUPAC
- penta-1,4-diene
- English name
- 1,4-Pentadiene
- Molecular formula
- C5H8
- Molecular weight
- 68.12
Names & synonyms
1,4-PENTADIENEPenta-1,4-diene591-93-5Pentadiene-1,4allylethylenedivinylmethaneUNII-A5IF861OQ5A5IF861OQ5EINECS 209-736-9NSC 73902NSC-73902CH2=CHCH2CH=CH2
Show more names
DTXSID8060456RefChem:73374DTXCID4042549InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2,5HQYZLKGVUSQXAMU-UHFFFAOYSA-NMFCD00008665NSC739021,4-Pentadiene, 99%
Database identifiers
- CAS
591-93-5- PubChem CID
- 11587
- DTXSID
DTXSID8060456- UNII
- A5IF861OQ5
- EC Number
- 209-736-9
- Nikkaji
- J43.498A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 29.3
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP2.48
Density0.6608 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point40 °F (USCG, 1999)
Boiling Point78.8 °F at 760 mmHg (USCG, 1999)
Melting Point-234.9 °F (USCG, 1999)
Physical Description1,4-pentadiene appears as a colorless liquid. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Physicochemical properties
- Melting point
- -148.8 °C · -148.8 °C
- Boiling point
- 26 °C · 26 °C
- Density
- 0.6594 g/cm3 · 0.6594 g/cm3
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 224 · H224-H304
- Precautionary statements
- 210 · P210-P301+P310+P331-P403+P233
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
H224 (100%): Extremely 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 47 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,4-Pentadiene
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: Fire may produce irritating and poisonous gases.
Health HazardsVapor may cause dizziness or suffocation. Contact may irritate skin and eyes. (USCG, 1999)
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity Profile
1,4-PENTADIENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release gaseous hydrogen. Can undergo exothermic polymerization reactions in the presence of various catalysts (such as acids) or initiators. May undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions have occurred at low temperatures in ammonia synthesis gas units. These explosions have been traced to the decomposition of addition products between dienes such as this one and oxides of nitrogen [Bretherick, 1995].
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 1 (100%)
Safety & protection
Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective since this material floats.
First AidINHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- Hazard statements
- H224-H304
- Precautionary statements
- P210-P301+P310+P331-P403+P233
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Pentadiene: ACTIVE
Suppliers17 total
T&W GROUP021-61551611 13296011611 · [email protected]
湖南省华中特种气体有限公司0734-8755555 15674722888 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
尚澜气体（上海）有限公司4001882517 13194677939 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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