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ChemicalBook--->CAS DataBase List--->1647-16-1

1647-16-1

1647-16-1 Structure

1647-16-1 Structure
IdentificationMore
[Name]

1,9-DECADIENE
[CAS]

1647-16-1
[Synonyms]

1,9-DECADIENE
TIMTEC-BB SBB008889
decadiene-1,9
1,9-Decadien
deca-1,9-diene
[EINECS(EC#)]

216-711-6
[Molecular Formula]

C10H18
[MDL Number]

MFCD00008670
[Molecular Weight]

138.25
[MOL File]

1647-16-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-69.6°C (estimate)
[Boiling point ]

169 °C (lit.)
[density ]

0.75 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

107 °F
[storage temp. ]

Flammables area
[solubility ]

It is soluble in organic solvents.
[form ]

Liquid
[color ]

Colorless to Light yellow
[Specific Gravity]

0.75
[explosive limit]

0.7%(V)
[BRN ]

1697870
[InChI]

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
[InChIKey]

NLDGJRWPPOSWLC-UHFFFAOYSA-N
[SMILES]

C=CCCCCCCC=C
[CAS DataBase Reference]

1647-16-1(CAS DataBase Reference)
[EPA Substance Registry System]

1,9-Decadiene (1647-16-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3295 3/PG 3
[WGK Germany ]

3
[F ]

9
[TSCA ]

Yes
[HS Code ]

2901.29.5000
[HazardClass ]

3
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,10-DIACETOXYDECANE-->1,13-TETRADECADIENE-->1,10-Decanediol-->ACETIC ACID 9-DECEN-1-YL ESTER-->7-Bromo-1-heptene-->1,5-HEXADIENE-->9-DECEN-1-OL-->1,4-Dibromobutane-->ALLYLMAGNESIUM BROMIDE-->Allyl bromide
[Preparation Products]

1,2-EPOXY-9-DECENE-->1,10-Dibromodecane-->1,10-BIS(TRICHLOROSILYL)DECANE, tech-95
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

It is widely used in the manufacturers and suppliers of pharmaceuticals and intermediates in the preparation of fine chemicals. 1,9-decadiene is also used as a starting material in ADMET polymerizations .
[General Description]

1,9-Decadiene(1647-16-1) acts as comonomer and undergoes acyclic diene metathesis (ADMET) copolymerization with 1, 5-hexadiene to form random linear polybutadiene –polyoctenamer copolymers. It undergoes ADMET copolymerization with divinyltetraethoxydisiloxane to yield siloxylene–vinylene–alkenylene copolymer.
[Synthesis]

1,9-Decadiene is synthesised using 2-(oct-7-en-1-yl)oxirane as a raw material by chemical reaction. The specific synthesis steps are as follows:
General procedure: To a solution of Ni(acac)2 (25.7 mg, 0.1 mmol) in dry THF (3 mL) were successively added ethyl 3-phenylglycidate (192 mg, 1 mmol) and diethylzinc (2.4 mmol, 1.0 M hexane solution) via syringe under argon atmosphere. The mixture was stirred at ambient temperature for 48 h. The mixture was diluted with 30 mL of CH2Cl2 and washed with sat. NH4Cl aq. and then brine. The organic layer was dried over MgSO4 and concentrated in vacuo and the residual oil was subjected to column chromatography over silica gel (hexane/EtOAc = 4/1 v/v) to give 1,9-Decadiene (164 mg, 93%).
1,9-Decadiene synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

1,9-DECADIENE(1647-16-1)MS
1,9-DECADIENE(1647-16-1)1HNMR
1,9-DECADIENE(1647-16-1)13CNMR
1,9-DECADIENE(1647-16-1)IR1
1,9-DECADIENE(1647-16-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,9-Decadiene, 97%(1647-16-1)
[Alfa Aesar]

1,9-Decadiene, 97%(1647-16-1)
[Sigma Aldrich]

1647-16-1(sigmaaldrich)
[TCI AMERICA]

1,9-Decadiene,>98.0%(GC)(1647-16-1)
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