3,5,5-Trimethylhexanal

Base Information Edit

Chemical Name:3,5,5-Trimethylhexanal
CAS No.:5435-64-3
Molecular Formula:C9H18 O
Molecular Weight:142.241
Hs Code.:2912190090
European Community (EC) Number:226-603-0
NSC Number:21482
UNII:U62H30BXPJ
DSSTox Substance ID:DTXSID6047107
Nikkaji Number:J64.760H
Wikidata:Q27290734
Metabolomics Workbench ID:45064
ChEMBL ID:CHEMBL3185108
Mol file:5435-64-3.mol

Synonyms:3,5,5-Trimethylhexanal;5435-64-3;HEXANAL, 3,5,5-TRIMETHYL-;tert-Butylisopentanal;Isononylaldehyde;3,5,5-Trimethylcapronaldehyde;FEMA No. 3524;Isonylaldehyde;green hexanal;3,5,5-Trimethyl hexanal;Hexanal, 3,5,5-trimethl-;EINECS 226-603-0;NSC 21482;UNII-U62H30BXPJ;BRN 1740882;U62H30BXPJ;3,5,5-Trimethyl n-hexanal;AI3-22274;DTXSID6047107;HSDB 7626;NSC-21482;EC 226-603-0;4-01-00-03362 (Beilstein Handbook Reference);NSC21482;3,5-Trimethylhexanal;3.5,5-trimethylhexanal;Hexanal,5,5-trimethyl-;3,5,5,-trimethylhexanal;3,5,5-Trimethl-Hexanal;3,5,5-trimethyl-hexanal;3,5,5 - trimethylhexanal;Hexanal, 3,5,5-trimetil-;3,5,5-Trimethylhexanaldehyde;SCHEMBL272791;CHEMBL3185108;DTXCID4027107;FEMA 3524;3,5,5-Trimethylhexanal, 95%;CHEBI:179602;Tox21_302701;MFCD00010441;AKOS009157038;LS-3137;3,5,5-TRIMETHYLHEXANAL [FHFI];3,5,5-TRIMETHYLHEXANAL [HSDB];3,5,5-TRIMETHYL HEXANAL [FCC];3,5,5-Trimethylhexanal, >=97%, FG;NCGC00256906-01;(+/-)-3,5,5-TRIMETHYLHEXANAL;CAS-5435-64-3;3,5,5-TRIMETHYLHEXANAL, (+/-)-;FT-0653812;T0940;E77184;EN300-6230265;A830120;Q27290734

Suppliers and Price of 3,5,5-Trimethylhexanal

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
3,5,5-Trimethylhexanal >90.0%(GC)
25mL
$ 23.00

TCI Chemical
3,5,5-Trimethylhexanal >90.0%(GC)
500mL
$ 96.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
4 kg
$ 900.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
4kg-k
$ 900.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
1 kg
$ 250.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
1kg-k
$ 250.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
100 g
$ 75.00

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%, FG
100g-k
$ 75.00

Sigma-Aldrich
3,5,5-Trimethylhexanal 95%
100ml
$ 74.60

Sigma-Aldrich
3,5,5-Trimethylhexanal ≥97%,FG
1 SAMPLE-K
$ 50.00

Total 36 raw suppliers

Chemical Property of 3,5,5-Trimethylhexanal Edit

Chemical Property:

Vapor Pressure:0.14mmHg at 25°C
Melting Point:-18°C (estimate)
Refractive Index:n20/D 1.421(lit.)
Boiling Point:216.5°Cat760mmHg
Flash Point:46.7°C
PSA：17.07000
Density:0.813g/cm³
LogP:2.64770
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
Water Solubility.:100mg/L at 20℃
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:142.135765193
Heavy Atom Count:10
Complexity:99.8

Purity/Quality:

99.9% ^*data from raw suppliers

3,5,5-Trimethylhexanal >90.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xi,Xn
Statements: 10-36/37/38-65-52/53-43-36/38
Safety Statements: 16-26-36/37/39-62-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(CC=O)CC(C)(C)C
Uses 3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide.

Technology Process of 3,5,5-Trimethylhexanal

There total 16 articles about 3,5,5-Trimethylhexanal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: