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| CAS No.: | 4313-03-5 | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Name: | trans,trans-2,4-Heptadienal | ||||||||||||||
| Article Data: | 17 | ||||||||||||||
| Cas Database | |||||||||||||||
| Molecular Structure: | |||||||||||||||
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| Formula: | C7H10 O | ||||||||||||||
| Molecular Weight: | 110.156 | ||||||||||||||
| Synonyms: | 2,4-Heptadienal,(E,E)- (8CI); (2E,4E)-2,4-Heptadienal; (E,E)-2,4-Heptadien-1-al;(E,E)-2,4-Heptadienal; 2-trans-4-trans-Heptadienal; 2E,4E-Heptadienal;all-trans-2,4-Heptadienal; trans,trans-2,4-Heptadienal;trans-2-trans-4-Heptadienal | ||||||||||||||
| EINECS: | 224-328-0 | ||||||||||||||
| Density: | 0.883 | ||||||||||||||
| Melting Point: | 84.5 °C | ||||||||||||||
| Boiling Point: | 84-84.5 ºC | ||||||||||||||
| Flash Point: | 65 ºC | ||||||||||||||
| Solubility: | INSOLUBLE | ||||||||||||||
| Appearance: | clear yellow liquid | ||||||||||||||
| Hazard Symbols: |
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| Risk Codes: | R22;R24;R38 | ||||||||||||||
| Safety: |
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| Transport Information: | UN 2810 | ||||||||||||||
| PSA: | 17.07000 | ||||||||||||||
| LogP: | 1.70770 | ||||||||||||||
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Chemistry
Molecular Formula: C7H10O
Molar mass: 110.15 g/mol
EINECS: 224-328-0
Density: 0.856 g/cm3
Flash Point: 65.6 °C
Index of Refraction: 1.453
Boiling Point: 177.4 °C at 760 mmHg
Vapour Pressure: 1.04 mmHg at 25 °C
Storage temp: Refrigerator (+4 °C)
Water solubility: Insoluble
Appearance: Clear yellow liquid
Product categories: API intermediate;Carbonyl Compound;aldehyde Flavor;Aldehydes;Alpha Sort
Structure of trans,trans-2,4-Heptadienal (CAS NO.4313-03-5):
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 1
IUPAC Name: (2E,4E)-Hepta-2,4-dienal
Canonical SMILES: CCC=CC=CC=O
Isomeric SMILES: CC/C=C/C=C/C=O
InChI: InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
InChIKey: SATICYYAWWYRAM-VNKDHWASSA-N
Toxicity Data With Reference
Carcinogenicity of trans,trans-2,4-Heptadienal (CAS NO.4313-03-5) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65.
Safety Profile
Hazard Note: Irritant
Hazard Codes: 
T,
Xi
Risk Statements: 22-24-38
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R38:Irritating to skin.
Safety Statements: 36/37-45
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Specification
trans,trans-2,4-Heptadienal ,its cas register number is 4313-03-5. It also can be called (2E,4E)-Hepta-2,4-dienal ; 2,4-Heptadienal, (E,Z)- ; (Z,E)-2,4-heptadien-1-al ; 2,4-heptadienal, (2E,4E)- ; (Z,E)-2,4-heptadienal ; and (2E,4E)-2,4-Heptadienal . trans,trans-2,4-Heptadienal (CAS NO.4313-03-5) is hazardous,so the first aid measures and others should be known. Such as: When on the skin: should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, trans,trans-2,4-Heptadienal (CAS NO.4313-03-5) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, strong reducing agents, strong bases, and you must not take it with high temperatures and incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.