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Cas Database

Name	Hept-1-ene	EINECS	209-767-8
CAS No.	592-76-7	Density	0.697
PSA	0.00000	LogP	2.75270
Solubility	18.17mg/L(25 oC)	Melting Point	?119 °C(lit.)
Formula	C7H14	Boiling Point	94 °C(lit.)
Molecular Weight	98.1882	Flash Point	16 °F
Transport Information	UN 2278	Appearance	clear colorless liquid
Safety	A simple asphyxiant. See ARGON for a description of simple asphyxiants. Dangerous fire hazard when exposed to heat, flame, or oxidizers. Unknown explosion hazard. To fight fire, use foam, dry chemical, CO₂. When heated to decomposition it emits acrid smoke and fumes.	Risk Codes	R11;R36/37/38;R65
Molecular Structure		Hazard Symbols
Synonyms	1-n-Heptene;NSC 74130; n-Hept-1-ene	Article Data	215

Hept-1-ene Synthetic route

: 628-71-7
1-Heptyne

A: 592-76-7
1-Heptene

B: 142-82-5
n-heptane

Conditions

Conditions	Yield
With quinoline; oct-1-ene; hydrogen; Lindlar's catalyst	A 98.3% B 1.7%
With hydrogen; silica gel; rhodium(1+) In ethanol; toluene at 40℃; under 1320.1 Torr; Product distribution;	A 32% B 1%
With hydrogen; copper at 200℃;

: 13389-36-1
6-iodohept-1-ene

A: 592-76-7
1-Heptene

B: 73783-40-1
1-(iodomethyl)-2-methylcyclopentane

C: 1192-18-3
cis-1,2-dimethylcyclopentane

: 822-50-4
trans-1,2-dimethylcyclopentane

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran for 2h; Product distribution; Mechanism; or with deuterated dicyclohexylphosphine (DCPD) or other reagents;	A 98% B 9% C n/a D n/a

: 629-06-1
1-Chloroheptane

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
TR97305 at 300℃; Dehydrochlorination;	97%

: 693-03-8
n-butyl magnesium bromide

: 16212-05-8
(allylsulfonyl)benzene

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
With triphenylphosphine; copper dichloride In tetrahydrofuran at 60℃;	96%

CH2=CH-CH2-OR, C4H9CCMgR': CH2=CH-CH2-OR, C4H9CCMgR'

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
Cu(acac)2-PPh3 In tetrahydrofuran	95%

: 628-71-7
1-Heptyne

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
With hydrogen at 40℃; under 3000.3 Torr; for 0.333333h; Kinetics; Reagent/catalyst; Temperature;	93%
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h;	90%
With methanol; hydrogen; nickel Hydrogenation;

: 5063-65-0
1,2-epoxyheptane

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
With bis(cyclopentadienyl)titanium dichloride; magnesium In tetrahydrofuran for 12h; Ambient temperature;	92%

: 111-67-1
2-octene

: 74-85-1
ethene

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
With Grubbs catalyst first generation In toluene at 40℃; under 3750.38 Torr; for 0.5h; Temperature; Reagent/catalyst; Pressure; Inert atmosphere; Glovebox; Sealed tube;	91.3%
With 1-Propyl acetate; ethylaluminum dichloride; tungsten(VI) oxychloride diethyl etherate In toluene at 85℃; under 2850.29 - 3000.3 Torr; for 2h;

: 628-71-7
1-Heptyne

A: 592-76-7
1-Heptene

B: 592-78-9
hept-3-ene

C: 592-77-8
hept-2-ene

D: 142-82-5
n-heptane

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.416667h; Product distribution; Ambient temperature; various time;	A 89% B 1.8% C 2.9% D 6.3%

: 83367-40-2
1-chloromethanesulfonyl-hexane

: 592-76-7
1-Heptene

Conditions

Conditions	Yield
With sodium hydroxide; Aliquat 336 In dichloromethane for 30h; Heating;	85%

Hept-1-ene Chemical Properties

Chemistry informtion about 1-Heptene (592-76-7) is:
IUPAC Name: Hept-1-ene
Synonyms: 1-C₇H₁₄; 1-n-Heptene ; Alpha-heptylene ; Hept-1-ene;Heptylene ; N-hept-1-ene ; N-heptene ; Heptene-1.
MF: C₇H₁₄
MW: 98.19
EINECS: 209-767-8
Melting Point: −119 °C(lit.)
Boiling Point: 94 °C(lit.)
Flash Point: 16 °F
Refractive Index: n20/D 1.400(lit.)
Density: 0.697 g/ml at 25 °C(lit.)
Enthalpy of Vaporization: 31.9 kJ/mol
Vapour Pressure: 57.1 mmHg at 25°C
BRN: 1098332
Storage temp. : Flammables area
Following is the molecular structure of 1-Heptene (592-76-7) is:

Hept-1-ene Toxicity Data With Reference

Poisoning

Hept-1-ene Safety Profile

Hazard Codes:
F: Flammable
Xn: Harmful
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.
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 vomitting; seek medical advice immediately and show this container or label.
RIDADR: UN 2278 3/PG 2
WGK Germany: 1
RTECS: MJ8840000
F: 10 Keep under argon.
HazardClass: 3
PackingGroup: II

Hept-1-ene Specification

1-Heptene (592-76-7) is a clear colorless liquid.
First aid measures：
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Handling and Storage:
Handling: Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Flammables-area.

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