ChemicalBook--->CAS DataBase List--->821-95-4

821-95-4

821-95-4 Structure

821-95-4 Structure
IdentificationMore
[Name]

1-UNDECENE
[CAS]

821-95-4
[Synonyms]

1-UNDECENE
TIMTEC-BB SBB009051
1-hendecene
alpha-nonylethylene
alpha-Undecene
alpha-undecylene
n-1-Undecene
Undec-1-ene
Undecene-1
1-UNDECENE, STANDARD FOR GC
UREA, [14C]-50-60 MCI(1.85-2.22 GBQ)/MMOL, MORPURE HPLC PURIFIED, DELIVERED >= 98% PURE WITH HPLC RADIOCHROMATOGRAM
1-UNDECENE [STANDARD MATERIAL] 99.5+%
1-UNDECENE 98+%
1-Undecene [Standard Material]
10-Undecene
[EINECS(EC#)]

212-483-7
[Molecular Formula]

C11H22
[MDL Number]

MFCD00008956
[Molecular Weight]

154.29
[MOL File]

821-95-4.mol
Chemical PropertiesBack Directory
[Melting point ]

-49 °C (lit.)
[Boiling point ]

192-193 °C (lit.)
[density ]

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

n20/D 1.426(lit.)
[Fp ]

145 °F
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Specific Gravity]

0.750
[Odor]

Mild, pleasant.
[Water Solubility ]

Solunle in ether, chloroform and ligroin. Insoluble in water.
[Specific Heat Capacity]

Cp(liquid):344.9J/(g·K),at 25℃
[Thermal Conductivity]

0.125 W/(m·K) at 25 ℃
[BRN ]

1740044
[Henry's Law Constant]

4.5×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
[Dielectric constant]

2.1699999999999999
[InChI]

1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
[InChIKey]

DCTOHCCUXLBQMS-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCC=C
[LogP]

5.903 (est)
[CAS DataBase Reference]

821-95-4(CAS DataBase Reference)
[EPA Substance Registry System]

1-Undecene (821-95-4)
Safety DataBack Directory
[Hazard Codes ]

Xn,F
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
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 .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29012990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

821-95-4(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

1-undecene is an alkene that can be used as a reactant:
  • In the Pd-catalyzed aerobic oxidative amination reaction with nitrogen nucleophiles to produce useful amine analogs.
  • To prepare a key intermediate in the total synthesis of (+)-deoxoprosopinine.

[Uses]

1-Undecene is a pharmaceutical intermediate and a useful reagent for organic synthesis.
[Definition]

ChEBI: An alkene that is undecane containing one double bond located at position 1.
[Synthesis Reference(s)]

Chemistry Letters, 7, p. 1155, 1978
The Journal of Organic Chemistry, 47, p. 876, 1982 DOI: 10.1021/jo00344a024
Tetrahedron, 49, p. 7104, 1993 DOI: 10.1016/S0040-4020(01)87982-5
[General Description]

1-undecene (or α-undecene) is an organic compound, which belongs to the class of unsaturated aliphatic hydrocarbons. It is a hydrophobic molecule found in the essential oil of Farfugium japonicum and some mushroom species.
[Health Hazard]

Recommended Personal Protective Equipment: Goggles or face shield; rubber gloves; Symptoms Following Exposure: Aspiration hazard if ingested. Slight skin and eye irritation. No inhalation hazard expected; General Treatment for Exposure: INHALATION: remove victim to fresh air. INGESTION: do NOT lavage or induce vomiting; give vegetable oil and demulcents; call a doctor. EYES: flush with water for 15 min. SKIN: wipe off, wash with soap and water; Toxicity by Inhalation (Threshold Limit Value): Data not available; Short-Term Exposure Limits: Data not available; Toxicity by Ingestion: Data not available; Late Toxicity: Data not available; Vapor (Gas) Irritant Characteristics: Slight smarting of eyes and respiratory system at high concentrations. The effect is temporary; Liquid or Solid Irritant Characteristics: Minimum hazard. If spilled on clothing and allowed to remain, may cause smarting and reddening of the skin; Odor Threshold: Data not available.
[Chemical Reactivity]

Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Spectrum DetailBack Directory
[Spectrum Detail]

1-UNDECENE(821-95-4)MS
1-UNDECENE(821-95-4)1HNMR
1-UNDECENE(821-95-4)13CNMR
1-UNDECENE(821-95-4)IR1
1-UNDECENE(821-95-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

821-95-4(sigmaaldrich)
[TCI AMERICA]

1-Undecene,>98.0%(GC)(821-95-4)
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