Home Aldehydes 207226-32-2
207226-32-2,MFCD00008826
Catalog No.:AA002ITE
207226-32-2 | Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hydrate (2:1)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
1 week  
$52.00
- +
5g
98%
1 week  
$53.00
- +
25g
98%
1 week  
$77.00
- +
100g
98%
1 week  
$159.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002ITE
Chemical Name:
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hydrate (2:1)
CAS Number:
207226-32-2
Molecular Formula:
C30H46O5
Molecular Weight:
486.6832
MDL Number:
MFCD00008826
IUPAC Name:
3,5-ditert-butyl-4-hydroxybenzaldehyde;hydrate
InChI:
InChI=1S/C15H22O2.H2O/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h7-9,17H,1-6H3;1H2
InChI Key:
VJKLMLCZIFQQHX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.O
Properties
Computed Properties
 
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate 
207226-32-2 
SCHEMBL1502206 
AKOS024365337 
ACM207226322 
FT-0643936 
ST50998253 
3,5-ditert-butyl-4-hydroxybenzaldehyde,hydrate 
3,5-bis(tert-butyl)-4-hydroxybenzaldehyde, oxamethane 
3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE HYDRATE 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: