ChemicalBook--->CAS DataBase List--->3302-10-1

3302-10-1

3302-10-1 Structure

3302-10-1 Structure
IdentificationMore
[Name]

3,5,5-Trimethylhexanoic acid
[CAS]

3302-10-1
[Synonyms]

3,3,5-TRIMETHYLHEXANOIC ACID
3,5,5-TRIMETHYLHEXANOIC ACID
ISONONANOIC ACID
RARECHEM AL BE 0197
TIMTEC-BB SBB005782
3,5,5-trimethyl-hexanoicaci
Hexanoic acid, 3,5,5-trimethyl-
Isononansre
TMHA
3,5,5-Trimethlhexanoic acid
TRIMETHYLHEXANOICACID
CEKANOICC9ACID
3,5,5-Trimethylhexansaeure
[EINECS(EC#)]

221-975-0
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00020507
[Molecular Weight]

158.24
[MOL File]

3302-10-1.mol
Questions And AnswerBack Directory
[Synthesis]

Aldehyde oxidation is currently the main production process, using 3,5,5-trimethylhexanal as the raw material. Its structure is as follows: [Image of 3,5,5-trimethylhexanal structure] It undergoes an oxidation reaction with oxygen to yield 3,5,5-trimethylhexanoic acid. The raw material 3,5,5-trimethylhexanal is mainly prepared through olefin hydroformylation. In general aldehyde oxidation to acid production processes, catalysts are often salts of metals such as Co, Mn, and Cu, such as acetates or naphthenates. Their main function is to promote the oxidation to form peracids and facilitate their rapid decomposition.
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-70°C
[Boiling point ]

121 °C (10 mmHg)
[density ]

0,91 g/cm3
[vapor pressure ]

0.46Pa at 20℃
[refractive index ]

1.4278-1.4298
[Fp ]

125°C
[storage temp. ]

Store at room temperature
[solubility ]

Miscible with the usual organic solvents.
[form ]

clear liquid
[pka]

4.80±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Stability:]

Stable. Incompatible with reactive metals, strong oxidizing agents.
[Optical Rotation]

-0.1325°(C=1g/100ml CHCL3)
[Water Solubility ]

700mg/L at 20℃
[BRN ]

1749506
[LogP]

3.2 at 25℃
[CAS DataBase Reference]

3302-10-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5,5-Trimethylhexanoic acid(3302-10-1)
[EPA Substance Registry System]

3302-10-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H318-H335
[Precautionary statements ]

P280b-P305+P351+P338-P337+P313-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3265
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2915907098
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

3,5,5-Trimethylhexanoic acid, is an important organic intermediate. It is also used as an an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Definition]

ChEBI: 3,5,5-trimethyl-hexanoic acid is a medium-chain fatty acid.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3,5,5-Trimethylhexanoic acid(3302-10-1)MS
3,5,5-Trimethylhexanoic acid(3302-10-1)1HNMR
3,5,5-Trimethylhexanoic acid(3302-10-1)13CNMR
3,5,5-Trimethylhexanoic acid(3302-10-1)IR1
3,5,5-Trimethylhexanoic acid(3302-10-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5,5-Trimethylhexanoic acid, 95%(3302-10-1)
[Alfa Aesar]

3,5,5-Trimethylhexanoic acid, 97%(3302-10-1)
[Sigma Aldrich]

3302-10-1(sigmaaldrich)
[TCI AMERICA]

3,5,5-Trimethylhexanoic Acid,>95.0%(GC)(3302-10-1)
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