| Identification | More | [Name]
2,5-Dimethyl-2,4-hexadiene | [CAS]
764-13-6 | [Synonyms]
2,5-DIMETHYL-2,4-HEXADIENE
2,5-Dimethylhexa-2,4-diene
DIISOCROTYL
TIMTEC-BB SBB008758
(CH3)2C=CHCH=C(CH3)2
2,5-dimethyl-4-hexadiene
4-Hexadiene,2,5-dimethyl-2
Biisobutenyl
Biisocrotyl
2,5-Dimethyl-2,4-hexadiene min.98%(GC)
2,5-Dimethyl-2,4-hexadiene (stabilized with MEHQ)
2,4-Hexadiene, 2,5-dimethyl-
2,5-Dimethyl-2,4-hexadiene (stabilized with BHT) | [EINECS(EC#)]
212-115-5 | [Molecular Formula]
C8H14 | [MDL Number]
MFCD00008904 | [Molecular Weight]
110.2 | [MOL File]
764-13-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless liquid | [Melting point ]
12 °C | [Boiling point ]
132134°C
| [density ]
0.773 g/mL at 25 °C(lit.)
| [vapor density ]
3.8 (vs air)
| [vapor pressure ]
26.9 mm Hg ( 37.7 °C)
| [refractive index ]
n20/D 1.476(lit.)
| [Fp ]
85 °F
| [storage temp. ]
Flammables area | [solubility ]
Chloroform, Ethyl Acetate | [form ]
Oil | [color ]
Clear Colourless | [BRN ]
1733342 | [InChI]
1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3 | [InChIKey]
DZPCYXCBXGQBRN-UHFFFAOYSA-N | [SMILES]
C\C(C)=C/C=C(\C)C | [LogP]
3.500 | [CAS DataBase Reference]
764-13-6(CAS DataBase Reference) | [NIST Chemistry Reference]
2,4-Hexadiene, 2,5-dimethyl-(764-13-6) | [EPA Substance Registry System]
764-13-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 3295 3/PG 3
| [WGK Germany ]
3
| [Autoignition Temperature]
559 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29012900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Phosphoric acid-->Isobutylene-->Isobutyraldehyde-->NIOBIUM SHEET 1.0 X 100 X 200 MM-->2,5-Hexanediol-->(E)-2,5-dimethylhex-3-ene-2,5-diol-->3-Hexene-2,5-diol, 2,5-dimethyl-, (3Z)--->cis-1-bromo-1-nonene-->1-CHLORO-2-METHYL-1-PROPENE-->2,5-DIMETHYL-1,5-HEXADIENE-->1-BROMO-2-METHYLPROPENE-->2-METHYL-1-PROPENYLMAGNESIUM BROMIDE-->Isobutylene oxide-->2-Methyl-1-propanol | [Preparation Products]
methyl(±)cis，trans-2，2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate)-->Ethyl chrysanthemumate-->2,2-Dimethyl-3-(2-methylpropyl)cyclopropanecarboxylic acid p-(methoxymethyl)benzyl ester-->2,5-DICHLORO-2,5-DIMETHYLHEXANE-->2-Methylcyclopentanone-->Isobutyl isobutyrate |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless liquid | [Uses]
2,5-dimethyl-2,4-hexadiene is a volatile alkyl compound present in tobacco smoke. It is used as a potential biomarker in breath for prediction of lung cancer.
| [Definition]
ChEBI: 2,5-Dimethyl-2,4-hexadiene is an alkadiene. | [General Description]
2,5-Dimethyl-2,4-hexadiene is an electron-rich alkene. It induces photodechlorination of 9,10-dichloroanthracene and its mechanism has been investigated. Asymmetric cyclopropanation of 2,5-dimethyl-2,4-hexadiene with tert-butyl diazoacetate catalyzed by the new copper-bisoxazoline complex has been reported. 2,5-Dimethyl-2,4-hexadiene has been investigated as a singlet oxygen acceptor in various solvents. Mechanism of addition reaction of aromatic and aliphatic thiols with 2,5-dimethyl-2,4-hexadiene has been investigated. | [Purification Methods]
Distil, then repeatedly fractionally crystallise it by partial freezing. Immediately before use, the diene is passed through a column containing Woelm silica gel (activity I) and Woelm alumina (neutral) in separate layers. [Beilstein 1 IV 1043.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,5-Dimethyl-2,4-hexadiene(764-13-6)MS
2,5-Dimethyl-2,4-hexadiene(764-13-6)1HNMR
2,5-Dimethyl-2,4-hexadiene(764-13-6)13CNMR
2,5-Dimethyl-2,4-hexadiene(764-13-6)IR1
2,5-Dimethyl-2,4-hexadiene(764-13-6)IR2
2,5-Dimethyl-2,4-hexadiene(764-13-6)Raman
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