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5435-64-3,MFCD00010441
Catalog No.:AA003IGS
5435-64-3 | 3,5,5-Trimethylhexanal
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1g
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$161.00   $113.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IGS
Chemical Name:
3,5,5-Trimethylhexanal
CAS Number:
5435-64-3
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00010441
IUPAC Name:
3,5,5-trimethylhexanal
InChI:
InChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
InChI Key:
WTPYRCJDOZVZON-UHFFFAOYSA-N
SMILES:
O=CCC(CC(C)(C)C)C
EC Number:
226-603-0
NSC Number:
21482
FEMA Number:
3524
Properties
Computed Properties
 
Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3,5,5-Trimethylhexanal 
5435-64-3 
NSC 21482 
3,5,5-Trimethyl hexanal 
BRN 1740882 
3,5,5-Trimethyl n-hexanal 
AI3-22274 
WTPYRCJDOZVZON-UHFFFAOYSA-N 
green hexanal 
HSDB 7626 
NSC21482 
3,5-Trimethylhexanal 
HEXANAL, 3,5,5-TRIMETHYL- 
3.5,5-trimethylhexanal 
AC1L2IMG 
AC1Q1QYR 
Hexanal,5,5-trimethyl- 
ACMC-1AQE6 
3,5,5,-trimethylhexanal 
3,5,5-Trimethl-Hexanal 
3,5,5-trimethyl-hexanal 
EC 226-603-0 
DSSTox_CID_27107 
Isononylaldehyde 
DSSTox_RID_82117 
DSSTox_GSID_47107 
4-01-00-03362 (Beilstein Handbook Reference) 
3,5,5-Trimethylhexanaldehyde 
SCHEMBL272791 
CHEMBL3185108 
DTXSID6047107 
CTK3J0612 
FEMA 3524 
KS-00000NDX 
tert-Butylisopentanal 
3,5,5-Trimethylhexanal, 95% 
Tox21_302701 
7838AB 
ANW-32047 
MFCD00010441 
NSC-21482 
AKOS009157038 
LS-3137 
RTR-019217 
TRA0088414 
3,5,5-Trimethylcapronaldehyde 
3,5,5-Trimethylhexanal, >=97%, FG 
NCGC00256906-01 
AN-21113 
CAS-5435-64-3 
TR-019217 
FT-0653812 
ST24041167 
A830120 
I14-6308 
InChI=1/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H 
Isonylaldehyde 
UNII-U62H30BXPJ 
3,5,5 - trimethylhexanal 
U62H30BXPJ 
Hexanal, 3,5,5-trimetil- 
C9H18O 
C9-H18-O 
CID21574 
T0940 
Hexanal, 3,5,5-trimethl- 
FEMA No. 3524 
EINECS 226-603-0 
Literature

Title: H-ferritin is the major source of iron for oligodendrocytes.

Journal: Glia 20110601

Title: Iron potentiates acetaminophen-induced oxidative stress and mitochondrial dysfunction in cultured mouse hepatocytes.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20101101

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