ChemicalBook--->CAS DataBase List--->5435-64-3

5435-64-3

5435-64-3 Structure

5435-64-3 Structure
IdentificationMore
[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 PropertiesBack 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
[Henry's Law Constant]

2.0×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
[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 DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H317-H412
[Precautionary statements ]

P210-P273-P280-P302+P352
[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
[REACH Registrations]

Active
[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 InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

3,5,5-TRIMETHYLHEXANAL(5435-64-3)1HNMR
3,5,5-TRIMETHYLHEXANAL(5435-64-3)13CNMR
3,5,5-TRIMETHYLHEXANAL(5435-64-3)IR1
3,5,5-TRIMETHYLHEXANAL(5435-64-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5435-64-3(sigmaaldrich)
[TCI AMERICA]

3,5,5-Trimethylhexanal,>90.0%(GC)(5435-64-3)
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