ChemicalBook--->CAS DataBase List--->592-76-7

592-76-7

592-76-7 Structure

592-76-7 Structure
IdentificationMore
[Name]

1-HEPTENE
[CAS]

592-76-7
[Synonyms]

1-HEPTENE
HEPTENE-1
HEPTENES
1-C7H14
1-n-Heptene
alpha-heptylene
hept-1-ene
Heptylene
n-Hept-1-ene
n-heptene
1-HEPTENE, STANDARD FOR GC
1-HEPTENE, 1000MG, NEAT
1-HEPTENE, 99+%
1-HEPTENE 98+%
n-Hepten-1
1-Heptene [Standard Material]
Heptane-1-ene
[EINECS(EC#)]

209-767-8
[Molecular Formula]

C7H14
[MDL Number]

MFCD00009531
[Molecular Weight]

98.19
[MOL File]

592-76-7.mol
Chemical PropertiesBack Directory
[Appearance]

Heptene is a colorless liquid. Mild, gasoline like odor.
[Melting point ]

-119 °C (lit.)
[Boiling point ]

94 °C (lit.)
[density ]

0.697 g/mL at 25 °C(lit.)
[vapor pressure ]

101 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.400(lit.)
[Fp ]

16 °F
[storage temp. ]

Flammables area
[solubility ]

water: soluble0.0182g/L at 25°C
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.698
[Odor]

Like gasoline.
[explosive limit]

1-7%(V)
[Odor Threshold]

0.37ppm
[Water Solubility ]

18.17mg/L(25 ºC)
[Specific Heat Capacity]

Cp(liquid):211.8J/(g·K),at 25℃
[Thermal Conductivity]

0.1216 W/(m·K) at 25 ℃
[BRN ]

1098332
[Henry's Law Constant]

2.0×10-5 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

2.1(20℃)
[Stability:]

Volatile
[InChI]

1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
[InChIKey]

ZGEGCLOFRBLKSE-UHFFFAOYSA-N
[SMILES]

CCCCCC=C
[Uses]

Organic synthesis.
[CAS DataBase Reference]

592-76-7(CAS DataBase Reference)
[EPA Substance Registry System]

1-Heptene (592-76-7)
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage 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 .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 2278 3/PG 2
[WGK Germany ]

1
[RTECS ]

MJ8840000
[F ]

10
[Autoignition Temperature]

505 °F
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Flam. Liq. 2
[Hazardous Substances Data]

592-76-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

trans-2-Octenoic acid-->1,3-Dimethoxypropane-->N-HEPTYL ETHER-->Methyl trans-2-octenoate-->cis-1,2-Dimethylcyclopentane-->Allyl phenyl sulfone-->trans-1,2-DiMethylcyclopentane-->n-Butylmagnesium bromide-->trans-2-Octene-->1-Heptanol
[Preparation Products]

1-Octanol-->Heptanoic acid-->2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid-->gamma-Nonanolactone-->isometheptene-->octamylamine-->2,4-Decadienoic acid methyl ester-->1-HEPTEN-3-ONE
Hazard InformationBack Directory
[Hazard]

Flammable, dangerous fire risk.
[Potential Exposure]

A potential danger to those involved in use as a plant growth retardant or in organic synthesis.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, includ ing resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medi cal attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2278 n-Heptene, Hazard Class: 3; Labels: 3-Flammable liquid.
[Incompatibilities]

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epox ides. May react exothermically with reducing agents releasing flammable hydrogen gas.
[Description]

Heptene is a colorless liquid with a mild, gaso-line-like odor. Molecular weight = 98.21;Boilingpoint= 94℃;Flashpoint≤0℃; Autoignitiontemperature = 260℃.Explosivelimits:LEL= 1.0%;UEL- -unknown. Hazard Identification (based on NFPA-704 M Rating System): Health 0, Flammability 3,Reactivity 0. Insoluble in water.
[Chemical Properties]

1-Heptene is a colorless, highly flammable liquid with specific gravity 0.697.
[Chemical Properties]

clear colorless liquid
[Chemical Properties]

Heptene is a colorless liquid. Mild, gasoline like odor.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: 1-Heptene is a hydrocarbon.
[Production Methods]

Heptene is produced in a process involving the oligomerization of ethene in the presence of aluminum alkyls.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 101, p. 5414, 1979 DOI: 10.1021/ja00512a051
Tetrahedron Letters, 31, p. 7115, 1990 DOI: 10.1016/S0040-4039(00)97255-1
Synthetic Communications, 17, p. 969, 1987 DOI: 10.1080/00397918708063955
[General Description]

The liquid phase alkylation of toluene with 1-heptene has been investigated over a HFAU zeolite.
[Health Hazard]

Recommended Personal Protective Equipment: Safety goggles or face shield; Symptoms Following Exposure: High concentrations may produce slight irritation of eyes and respiratory tract; also acts as simple asphyxiant and slight anesthetic; General Treatment for Exposure: Remove from exposure. Administer artificial respirator if needed; Toxicity by Inhalation: Data not available; Short-Term Inhalation Limits: Data not available; Toxicity by Ingestion: Data not available; Late Toxicity: Data not available; Vapor (Gas) Irritant Characteristics: Vapors cause a slight smarting of the eyes or respiratory system if present in high concentrations. Effects are 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.
[storage]

Color Code- Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with heptene you should be trained on itsproper handling and storage. Before entering confined spacewhere heptene may be present, check to make sure that anexplosive concentration does not exist. Store in tightlyclosed containers in a cool, well-venti lated area away fromoxidizers. Metal containers involving the transfer of thischemical should be grounded and bonded. Where possible,automatically pump liquid from drums or other storage con-tainers to process containers. Drums must be equipped withself-closing valves, pressure vacuum bungs, and flamearresters. Use only nonsparking tools and equipment, espe-cially when opening and closing containers of this chemi-cal. Sources of ignition, such as smoking and open flames,are prohibited where this chemical is used, handled, orstored in a manner that could create a potential fire orexplosion hazard. Wherever this chemical is used, handled,manufactured, or stored, use explosion-proof e lectricalequipment and fittings.
[Purification Methods]

Distil hept-1-ene from sodium, then carefully distil it fractionally using an 18-in gauze-packed column. It can also be purified by azeotropic distillation with EtOH. It usually contains the 2-and 3-isomers as impurities. These can be removed by gas chromatography using a Carbowax column at 70o. [Beilstein 1 IV 857.]
[Toxics Screening Level]

The initial threshold screening level (ITSL) for 1-HEPTENE is 24 μg/m3 (annual averaging time).
Spectrum DetailBack Directory
[Spectrum Detail]

1-HEPTENE(592-76-7)MS
1-HEPTENE(592-76-7)1HNMR
1-HEPTENE(592-76-7)13CNMR
1-HEPTENE(592-76-7)IR1
1-HEPTENE(592-76-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Heptene, 98%(592-76-7)
[Alfa Aesar]

1-Heptene, 98+%(592-76-7)
[Sigma Aldrich]

592-76-7(sigmaaldrich)
[TCI AMERICA]

1-Heptene,>98.0%(GC)(592-76-7)
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