| Identification | More | [Name]
3,5,5-TRIMETHYLHEXANAL | [CAS]
5435-64-3 | [Synonyms]
3,5,5-TRIMETHYLHEXANAL
3,5,5-TRIMETHYLHEXANALDEHYDE
FEMA 3524
ISONONYL ALDEHYDE
VANDOR B
3,5,5-Trimethyl n-hexanal
3,5,5-trimethylcapronaldehyde
3,5,5-trimethyl-hexana
hexanal,3,5,5-trimethyl-
Isonylaldehyde
tert-Butylisopentanal
Trimethylhexanal
3 5 5-TRIMETHYLHEXANAL 95+%
ISONONYLALDEHYD
3,5,5-TRIMETHYLHEXANAL 90+% | [EINECS(EC#)]
226-603-0 | [Molecular Formula]
C9H18O | [MDL Number]
MFCD00010441 | [Molecular Weight]
142.24 | [MOL File]
5435-64-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
-18°C (estimate) | [Boiling point ]
67-68 °C/2.5 mmHg (lit.) | [density ]
0.817 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.7hPa at 20℃ | [FEMA ]
3524 | [refractive index ]
n20/D 1.421(lit.)
| [Fp ]
116 °F
| [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [form ]
clear liquid | [color ]
Colorless to Light yellow | [Specific Gravity]
0.822 | [Odor]
at 10.00 % in dipropylene glycol. aldehydic dry grassy weedy green citrus fatty natural | [biological source]
synthetic | [Odor Type]
aldehydic | [Water Solubility ]
100mg/L at 20℃ | [JECFA Number]
269 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3 | [InChIKey]
WTPYRCJDOZVZON-UHFFFAOYSA-N | [SMILES]
CC(CC=O)CC(C)(C)C | [LogP]
3.09 at 25℃ | [CAS DataBase Reference]
5435-64-3(CAS DataBase Reference) | [EPA Substance Registry System]
Hexanal, 3,5,5-trimethyl- (5435-64-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 1989 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
MN7820000
| [TSCA ]
TSCA listed | [HS Code ]
2912.19.5000 | [HazardClass ]
3.2 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Aquatic Chronic 3
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1 | [Hazardous Substances Data]
5435-64-3(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
3,5,5-Trimethylhexanal has an aldehydic odor. | [Uses]
| [Uses]
3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide. | [Definition]
ChEBI: 3,5,5-Trimethylhexanal is a fatty aldehyde. | [Preparation]
From diisobutylene via the oxo reaction. | [Flammability and Explosibility]
Flammable |
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