Basic information
- CAS
51064-12-1- Standard SMILES
C=CC=C(C)C- InChIKey
CJSBUWDGPXGFGA-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Overview
Methylpentadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Vapors heavier than air.
Names & identifiers
- Preferred name
- 4-Methyl-1,3-pentadiene
- IUPAC
- 4-methylpenta-1,3-diene
- English name
- 4-METHYL-1,3-PENTADIENE
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
4-METHYL-1,3-PENTADIENE4-Methylpenta-1,3-diene926-56-71,3-Pentadiene, 4-methyl-Methylpentadiene2-methyl-2,4-pentadiene(CH3)2C=CHCH=CH2N4L3O7UJM9DTXSID5061291RefChem:99694DTXCID904880351064-12-1
Show more names
4-methyl-3-pentadiene4-methyl-penta-1,3-diene1,3-pentadiene,4-methyl-4-METHYL-1,3-PENTADIENE 98%
CJSBUWDGPXGFGA-UHFFFAOYSA-NInChI=1/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3HPentadiene, methyl-1,1-DIMETHYL-1,3-BUTADIENE4-Methyl-1,3-pentadiene - mixtureMFCD00042861EINECS 213-137-8UNII-N4L3O7UJM9
Database identifiers
- CAS
51064-12-1、926-56-7- PubChem CID
- 13555
- DTXSID
DTXSID5061291- UNII
- N4L3O7UJM9
- EC Number
- 213-137-8
- Nikkaji
- J147.978D
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
- 64.1
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Flash Point-30 °F (NFPA, 2010)
Physical DescriptionMethylpentadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Vapors heavier than air.
Physicochemical properties
- Melting point
- -94.9 °C · -94.9°C (estimate)
- Boiling point
- 75 · 75-77 °C
- Density
- 0.718 g/mL · 0.718 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.452
- Flash point
- -18 °C · -18 °C
- storage temp.
- 2 · 2-8°C
- Henry's Law Constant
- 7.3 · 7.3×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.6 · 2.6000000000000001
- FDA UNII
- 4 L3O7UJM9 · N4L3O7UJM9
- EPA Substance Registry System
- 1 · 1,3-Pentadiene, 4-methyl- (926-56-7)
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-65
- Safety Statements
- 16 · 16-36-62
- RIDADR
- 2461 · UN 2461 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (78.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Pentadiene, 4-methyl-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
DOT ID and Guide2461 128
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity Profile
METHYLPENTADIENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions. May undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions at low temperatures in ammonia synthesis units have been traced to the addition products of dienes and nitrogen dioxide [Bretherick, 5th Ed., 1995].
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (78.8%)
Flammable agents - 3rd degree, Reactive agents - 1st degree
Safety & protection
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2461 3/PG 2
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- hazard_code
- F,Xn
- safety_code
- 16-36-62
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H304-H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Pentadiene, 4-methyl-: ACTIVE
Applications
General DescriptionA clear colorless liquid with a petroleum-like odor. Flash point -30°F. Less dense than water and insoluble in water. Vapors heavier than air.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
天津希恩思生化科技有限公司400 638 7771 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [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]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
Loading…