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96-70-8,MFCD00069413
Catalog No.:AA003HUU
96-70-8 | 2-tert-Butyl-4-ethylphenol
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25g
98%
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$20.00   $14.00
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Technical Information
Catalog Number:
AA003HUU
Chemical Name:
2-tert-Butyl-4-ethylphenol
CAS Number:
96-70-8
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD00069413
IUPAC Name:
2-tert-butyl-4-ethylphenol
InChI:
InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3
InChI Key:
LZHCVNIARUXHAL-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)C(C)(C)C)O
EC Number:
202-526-8
UNII:
P944B16873
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
2-tert-butyl-4-ethylphenol 
2-tert-Butyl-4-ethylphenol 
4-Ethyl-2-tert-butylphenol 
Phenol, 2-tert-butyl-4-ethyl- 
EINECS 202-526-8 
AC1Q2TOP 
Benzene, 2-tert-butyl-4-ethyl-1-hydroxy- 
ACMC-209s7i 
AC1L1OH4 
AC1Q7A8X 
DSSTox_CID_24581 
DSSTox_RID_80329 
96-70-8 
DSSTox_GSID_44581 
KSC490K9H 
SCHEMBL245857 
CHEMBL224237 
DTXSID4044581 
CTK3J0593 
KS-00000QLV 
LZHCVNIARUXHAL-UHFFFAOYSA- 
LZHCVNIARUXHAL-UHFFFAOYSA-N 
2-tert-Butyl-4-ethylphenol, 99% 
2-(tert-Butyl)-4-ethylphenol 
ZINC2041170 
Tox21_300390 
6776AC 
ANW-40828 
MFCD00069413 
AKOS000120797 
MCULE-2611729076 
NE11169 
TRA0071866 
CAS-96-70-8 
2-T-BUTYL-4-ETHYLPHENOL 
NCGC00248017-01 
NCGC00254521-01 
AJ-33285 
AK-88056 
AN-42806 
CJ-07671 
CJ-32528 
DS-18425 
RT-002360 
FT-0613421 
Phenol, 2-(1,1-dimethylethyl)-4-ethyl- 
ST24021916 
I01-6993 
W-109362 
[2-(methylamino)acetyl] (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate 
InChI=1/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3 
C12H18O 
CID7309 
AR-1E5449 
C12-H18-O 
B1810 
UNII-P944B16873 
3968-03-4 
2-tert-butyl-4-ethyl-phenol 
P944B16873 
HSDB 5305 
Literature
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