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| CAS No.: | 3710-30-3 |
|---|---|
| Name: | 1,7-Octadiene |
| Article Data: | 55 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H14 |
| Molecular Weight: | 110.199 |
| Synonyms: | NSC 82324; a,w-Octadiene |
| Density: | 0.73g/cm3 |
| Melting Point: | -70 °C |
| Boiling Point: |
114-121 °C(lit.) |
| Flash Point: | 9.4°C |
| Solubility: | Miscible with methanol and cyclohexane. Slightly miscible with water. |
| Appearance: | CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID |
| Hazard Symbols: |
 
|
| Risk Codes: | 11-52/53-65 |
| Safety: | Mildly toxic by ingestion, inhalation and skin contact. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 0.00000 |
| LogP: | 2.91880 |
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- 3710-30-3
1,7-Octadiene
| Conditions | Yield |
|---|---|
| With hydrogen sulfide; triphenylphosphine; methyltrioxorhenium(VII) In [D3]acetonitrile for 1h; Ambient temperature; | 100% |
| With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene Heating; | 85% |
| Conditions | Yield |
|---|---|
| With triethanolamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; [Ni(2,2′:6′,2''-terpyridine)(pyridine)(CH3CN)2](PF6)2 In acetonitrile at 23 - 28℃; for 12h; Inert atmosphere; Sealed tube; Irradiation; | 98% |
| With diethyl ether; sodium |
| Conditions | Yield |
|---|---|
| With formic acid; triethylamine; tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tributylphosphine In tetrahydrofuran for 4h; Heating; | 76% |
- 30460-73-2
(E)-1-acetoxy-2,7-octadiene
- 3710-30-3
1,7-Octadiene
| Conditions | Yield |
|---|---|
| With formic acid; triethylamine; tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tributylphosphine In tetrahydrofuran for 2h; Heating; | 67% |
| With ammonium formate; tris(dibenzylideneacetone)dipalladium chloroform complex; tributylphosphine In 1,4-dioxane for 2h; Heating; | 100 % Chromat. |
- 32634-64-3
7,8-diazabicyclo<4.2.2>dec-7-ene
A
- 931-88-4, 931-87-3
(Z)-Cyclooctene
B
- 28282-35-1
cis-bicyclo<4.2.0>octane
C
- 3710-30-3
1,7-Octadiene
| Conditions | Yield |
|---|---|
| With 4-tert-Butylcatechol In Petroleum ether at 160 - 170℃; for 69h; | A 14% B 23% C 30% |
| In Petroleum ether at 160 - 170℃; for 69h; Mechanism; 4-t-butylpyrocatechol; | A 14% B 23% C 30% |
| In Petroleum ether at 170℃; | |
| In Petroleum ether at 170℃; also with deuterio labelled substrate; |
| Conditions | Yield |
|---|---|
| With lanthanum; iodine In tetrahydrofuran at 67℃; for 2h; | 26% |
| With α-picoline; manganese; trifluoroacetic acid; cobalt(II) bromide In acetonitrile at 50℃; | |
| With triethanolamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; [Ni(2,2′:6′,2''-terpyridine)(pyridine)(CH3CN)2](PF6)2 for 12h; Irradiation; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran-d8 at 22℃; Inert atmosphere; Schlenk technique; | A 22% B 22% |
| Conditions | Yield |
|---|---|
| In hexane at 16 - 18℃; under 53203.6 Torr; Pressure; Temperature; | 20.1% |
| at 25 - 80℃; under 30003 - 150015 Torr; for 24 - 42h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| palladium anchored polystyrene In neat (no solvent) at 25℃; under 1551.4 Torr; for 36h; | A 20% B 20% |
| palladium anchored polystyrene In neat (no solvent) at 25℃; under 1551.4 Torr; for 36h; | A 20% B 20% |
| Conditions | Yield |
|---|---|
| Stage #1: buta-1,3-diene With TEMPOL; sodium methylate; palladium diacetate In 1-methyl-pyrrolidin-2-one at -5 - 75℃; under 7500.75 Torr; Inert atmosphere; Stage #2: With formic acid In 1-methyl-pyrrolidin-2-one at 80 - 90℃; under 15001.5 Torr; Product distribution / selectivity; Inert atmosphere; | A 5.5% B 94.3 %Chromat. |
| With formic acid; triethylamine; palladium diacetate; triphenylphosphine In DMF (N,N-dimethyl-formamide) at 90℃; under 750.075 Torr; for 1.5h; Product distribution / selectivity; |
- Total:18 Page 1 of 1 1
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Chemistry
IUPAC Name: Octa-1,7-diene
The MF of 1,7-Octadiene (CAS NO.3710-30-3) is C8H14.
The MW of 1,7-Octadiene (CAS NO.3710-30-3) is 110.2.
Synonyms of 1,7-Octadiene (CAS NO.3710-30-3): Octa-1,7-diene ; .alpha.,.omega.-Octadiene
Product Categories: Acyclic;Alkenes;Organic Building Blocks
Apperance: clear colorless to slightly yellow liquid
Index of Refraction: 1.425
EINECS: 223-054-9
Density: 0.73 g/ml
Flash Point: 9.4 °C
Boiling Point: 115.5 °C
Melting Point: <-70 °C
Storage temp; Flammables area
BRN: 605288
Uses
1,7-Octadiene (CAS NO.3710-30-3) is used in organic synthesis.
Toxicity Data With Reference
| 1. | orl-rat LD50:14,696 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
| 2. | ihl-rat LCLo:8000 ppm/4H | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
| 3. | skn-rbt LD50:10,519 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mildly toxic by ingestion, inhalation and skin contact. A very dangerous fire hazard when exposed to HEAT or flame; can react vigorously with oxidizing materials. When HEATed to decomposition it emits acrid smoke and irritating fumes.Safety information of 1,7-Octadiene (CAS NO.3710-30-3):
Hazard Codes 
F,
Xn
Risk Statements
11 Highly Flammable
52/53 Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment
65 Harmful: May cause lung damage if swallowed
Safety Statements
16 Keep away from sources of ignition - No smoking
61 Avoid release to the environment. Refer to special instructions safety data sheet
62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
RIDADR UN 2309 3/PG 2
WGK Germany 1
RTECS RG5250000
F 9
HazardClass 3
PackingGroup II