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| CAS No.: | 6789-80-6 |
|---|---|
| Name: | FEMA 2561 |
| Article Data: | 32 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10 O |
| Molecular Weight: | 98.1448 |
| Synonyms: | 3-Hexenal,(Z)- (8CI); 3-Hexenal, cis- (7CI); (Z)-3-Hexenal; (Z)-Hex-3-enal;3-(Z)-Hexenal; cis-3-Hexenal |
| EINECS: | 229-854-4 |
| Density: | 0.982 g/mL at 25 °C |
| Melting Point: | -78°C (estimate) |
| Boiling Point: | 20 °C0.2 mm Hg |
| Flash Point: | 140 °F |
| Solubility: | Slightly soluble in water. |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36 |
| Safety: | Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. |
| Transport Information: | UN 1207 3 |
| PSA: | 17.07000 |
| LogP: | 1.54160 |
- 81281-59-67-Benzylideneaminotheophylline
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With Dess-Martin periodane In various solvent(s) for 18h; Ambient temperature; | 89% |
| With Dess-Martin periodane In dichloromethane at 0 - 20℃; for 1h; Schlenk technique; Inert atmosphere; | 85% |
| With Dess-Martin periodane In dichloromethane at 20℃; for 20h; Inert atmosphere; | 30% |
- 68000-82-8
hept-4c-ene-1,2-diol
- 6789-80-6
(3Z)-hexenal
| Conditions | Yield |
|---|---|
| With lead(IV) acetate; sodium carbonate In dichloromethane at -40 - -30℃; for 0.333333h; Oxidation; | 84% |
| With sodium periodate In water at 20℃; |
| Conditions | Yield |
|---|---|
| With ruthenium(III) chloride trihydrate; 1-(2-piperidinyl)ethyl-3-methylimidazole hexafluorophosphate In N,N-dimethyl-formamide at 30 - 80℃; under 15001.5 Torr; for 6h; Reagent/catalyst; Solvent; Temperature; Pressure; Autoclave; Inert atmosphere; | 80.97% |
- 79797-00-5
((Z)-2-Pent-2-enyl)-[1,3]dioxolane
- 6789-80-6
(3Z)-hexenal
| Conditions | Yield |
|---|---|
| With acetic acid for 24h; Ambient temperature; | 63% |
| Conditions | Yield |
|---|---|
| With Rh(CO)2acac; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 90℃; under 22502.3 Torr; for 16h; Solvent; | A 13% B 58% |
- 143618-83-1
(Z)-3-hexenyl 2-oxo-2-phenylacetate
A
- 6789-80-6
(3Z)-hexenal
B
- 100-52-7
benzaldehyde
C
- 143618-84-2
(Z)-3-Hydroxy-4-methyl-3-phenyl-3,4,7,8-tetrahydro-oxocin-2-one
| Conditions | Yield |
|---|---|
| In benzene Irradiation; | A n/a B n/a C 45% |
| In benzene Product distribution; Mechanism; Quantum yield; Irradiation; |
| Conditions | Yield |
|---|---|
| With air at 12.84 - 20.84℃; Quantum yield; Photolysis; |
| Conditions | Yield |
|---|---|
| With air at 12.84 - 20.84℃; Quantum yield; Photolysis; |
- 18229-85-1
1,1-diethoxyhex-3-yne
- 6789-80-6
(3Z)-hexenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 82 percent / i-BuMgBr; Cp2TiCl2 / diethyl ether / 48 h / 20 °C 2: 2,5-di-tert-butylhydroquinone / H2O; acetic acid / 1 h / 20 °C View Scheme |
- 41818-37-5
1-methoxy-hex-1-en-3-yne
- 6789-80-6
(3Z)-hexenal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: NaOMe / 24 h / 110 - 115 °C 2: H2 / Lindlar catalyst / hexane 3: oxalic acid, benzene-1,2-diol / acetone; H2O / 45 - 50 °C View Scheme |
- Total:26 Page 1 of 1 1
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Chemistry
MF: C6H10O
MW: 98.14
EINECS: 229-854-4
Flash Point: 140 °F
IUPAC Name: (Z)-hex-3-enal
Density: 0.982 g/mL at 25 °C
Refractive index: n20/D 1.44
Appearance: colourless liquid
Enthalpy of Vaporization: 36.51 kJ/mol
Vapour Pressure: 11.2 mmHg at 25°C
Boiling Point of 3-Hexenal, (Z)- (CAS NO.6789-80-6): 127.3 °C at 760 mmHg
Synonyms: (3Z)-3-Hexenal ; (Z)-3-hexen-1-al ; (Z)-3-hexena ; (Z)-3-hexenal ; (Z)-Hex-3-enal ; 3-(Z)-Hexenal ; cis-beta,gamma-Hexylenic aldehyde ; cis-beta,gamma-hexylenicaldehyde
Following is the molecular structure of 3-Hexenal, (Z)- (CAS NO.6789-80-6):
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Toxicity Data With Reference
| 1. | orl-rat LD50:1560 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),709. | ||
| 2. | skn-rbt LD50:3700 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),709. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information
Hazard Codes: Xn 
Risk Statements: 22
R22: Harmful if swallowed.
RIDADR: UN 1207 3/PG 3
WGK Germany: 1