2,4-Dimethylpenta-1,3-diene (HCID 66080)

Names & identifiers

Preferred name: 2,4-Dimethylpenta-1,3-diene
IUPAC: 2,4-dimethylpenta-1,3-diene
English name: 2,4-DIMETHYL-1,3-PENTADIENE
Molecular formula: C7H12
Molecular weight: 96.17

Names & synonyms

2,4-Dimethyl-1,3-pentadiene1000-86-82,4-Dimethylpenta-1,3-diene1,3-Pentadiene, 2,4-dimethyl-6CJ16Y4NXUEINECS 213-677-4UNII-6CJ16Y4NXUNSC 123451NSC-123451CMSUNVGIWAFNBG-UHFFFAOYSA-DTXSID60142854(CH3)2C=CHC(CH3)=CH2

Show more names

1,1,3-Trimethylbutadiene2,4-Dimethyl-2,4-pentadiene2,4-dimethyl-penta-1,3-diene1,3-pentadiene,2,4-dimethyl-1,1,3-Trimethyl-1,3-butadiene2,4-DIMETHYL-1,3-PENTADIENE 98%

2,4-DIMETHYLPENTA-2,4-DIENE1,3-, 2PENTADIENE,4-DIMETHYL-RefChem:82542DTXCID60653451,3-Pentadiene, 2,4-dimethyl-(8CI)1,3-Pentadiene, 2,4-dimethyl-(8CI)(9CI)213-677-4CMSUNVGIWAFNBG-UHFFFAOYSA-N

Database identifiers

CAS: 1000-86-8
PubChem CID: 66080
DTXSID: DTXSID60142854
UNII: 6CJ16Y4NXU
EC Number: 213-677-4
Nikkaji: J102.043I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 92.6

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -114 ℃ · -114℃
Boiling point: 94 °C · 94 °C (lit.)
Density: 0.744 g/mL · 0.744 g/mL at 25 °C (lit.)
vapor pressure: 67 mm · 67 mm Hg ( 37.7 °C)
refractive index: 20 · n20/D 1.441(lit.)
Flash point: 50 °F · 50 °F
storage temp.: Flammables area
form: Liquid
color: Clear colorless to light yellow
InChI: InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
InChIKey: CMSUNVGIWAFNBG-UHFFFAOYSA-N
SMILES: C=C(C)/C=C(\C)/C
CAS DataBase Reference: 1000 · 1000-86-8
FDA UNII: 6 CJ16Y4NXU · 6CJ16Y4NXU
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29012900 · 29012900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 29012900
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26-36/37/39
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Dimethyl-1,3-pentadiene has been used to study the structure of its various conformational isomers and their vibrational spectra.

Upstream & downstream products

Upstream raw materials

3,3,5,5-tetramethyllimonene 2-Pentene, 4-chloro-2,4-dimethyl-3-bromo-1,1,2,2-tetramethylcyclopropane 3-Penten-2-ol, 2,4-dimethyl-TETRAMETHYLALLENE 2,4-DIMETHYL-2-PENTENE 2,4-Dimethyl-3-pentanone Trimethylphosphine Methanol Trifluoromethanesulfonic acid Triethylamine Mesityl oxide

Suppliers33 total

南京楷煜医药科技有限公司025-86160631; 18913801556 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Related reactions

2 records

New reaction record

HRID 42728As reactantuspto-grants-2013_09

HRID 1446369As reactantuspto-grants-2010_02

Linked notes

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Basic information