Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

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1 – 15 of 349 results

2-(4-Bromophenyl)-2-propanol, 97%

CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	12681920
CAS	2077-19-2
Molecular Weight (g/mol)	215.09
MDL Number	MFCD11870096
SMILES	CC(C)(O)C1=CC=C(Br)C=C1
Synonym	2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol
IUPAC Name	2-(4-bromophenyl)propan-2-ol
InChI Key	AOGYBHJTXLXRSM-UHFFFAOYSA-N
Molecular Formula	C9H11BrO

2,6-Di-tert-butylphenol, 98%

CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C

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Specifications

PubChem CID	31405
CAS	128-39-2
Molecular Weight (g/mol)	206.33
MDL Number	MFCD00008820
SMILES	CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Synonym	2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701
IUPAC Name	2,6-ditert-butylphenol
InChI Key	DKCPKDPYUFEZCP-UHFFFAOYSA-N
Molecular Formula	C14H22O

2-tert-Butylphenol, 99%

CAS: 88-18-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002223 InChI Key: WJQOZHYUIDYNHM-UHFFFAOYSA-N Synonym: 2-tert-butyl phenol,2-t-butylphenol,phenol, 2-1,1-dimethylethyl,phenol, o-tert-butyl,o-t-butylphenol,o-tert-butylphenol,tert-butylphenol,2-1,1-dimethylethyl phenol,2-tert-butyl-1-hydroxybenzene,t-butylphenol PubChem CID: 6923 ChEBI: CHEBI:34305 IUPAC Name: 2-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC=C1O

Pricing and Availability
Specifications

PubChem CID	6923
CAS	88-18-6
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34305
MDL Number	MFCD00002223
SMILES	CC(C)(C)C1=CC=CC=C1O
Synonym	2-tert-butyl phenol,2-t-butylphenol,phenol, 2-1,1-dimethylethyl,phenol, o-tert-butyl,o-t-butylphenol,o-tert-butylphenol,tert-butylphenol,2-1,1-dimethylethyl phenol,2-tert-butyl-1-hydroxybenzene,t-butylphenol
IUPAC Name	2-tert-butylphenol
InChI Key	WJQOZHYUIDYNHM-UHFFFAOYSA-N
Molecular Formula	C10H14O

Cumyl hydroperoxide, tech. 80%

CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 IUPAC Name: 2-hydroperoxypropan-2-ylbenzene SMILES: CC(C)(OO)C1=CC=CC=C1

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Specifications

PubChem CID	6629
CAS	80-15-9
Molecular Weight (g/mol)	152.19
ChEBI	CHEBI:78673
MDL Number	MFCD00002129
SMILES	CC(C)(OO)C1=CC=CC=C1
Synonym	cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene
IUPAC Name	2-hydroperoxypropan-2-ylbenzene
InChI Key	YQHLDYVWEZKEOX-UHFFFAOYSA-N
Molecular Formula	C9H12O2

4-tert-Butylbenzoic acid, 99%

CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O

Pricing and Availability
Specifications

PubChem CID	7403
CAS	98-73-7
Molecular Weight (g/mol)	178.23
ChEBI	CHEBI:34443
MDL Number	MFCD00002563
SMILES	CC(C)(C)C1=CC=C(C=C1)C(O)=O
Synonym	4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r
IUPAC Name	4-tert-butylbenzoic acid
InChI Key	KDVYCTOWXSLNNI-UHFFFAOYSA-N
Molecular Formula	C11H14O2

(R)-(+)-1-Phenyl-1-propanol, 99%

CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

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Specifications

PubChem CID	640199
CAS	1565-74-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00064279
SMILES	CCC(C1=CC=CC=C1)O
Synonym	r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol
IUPAC Name	(1R)-1-phenylpropan-1-ol
InChI Key	DYUQAZSOFZSPHD-SECBINFHSA-N
Molecular Formula	C9H12O

4-Chloro-alpha,alpha-dimethylphenylacetic acid, 98%

CAS: 6258-30-6 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD00044814 InChI Key: SSFDAZXGUKDEAH-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid PubChem CID: 80406 IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoic acid SMILES: CC(C)(C1=CC=C(C=C1)Cl)C(=O)O

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Specifications

PubChem CID	80406
CAS	6258-30-6
Molecular Weight (g/mol)	198.646
MDL Number	MFCD00044814
SMILES	CC(C)(C1=CC=C(C=C1)Cl)C(=O)O
Synonym	2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid
IUPAC Name	2-(4-chlorophenyl)-2-methylpropanoic acid
InChI Key	SSFDAZXGUKDEAH-UHFFFAOYSA-N
Molecular Formula	C10H11ClO2

4-Fluorophenylacetone, 99%

CAS: 459-03-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00000362 InChI Key: ZUEKIIWSVFBTCM-UHFFFAOYSA-N Synonym: 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one PubChem CID: 521187 IUPAC Name: 1-(4-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(F)C=C1

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Specifications

PubChem CID	521187
CAS	459-03-0
Molecular Weight (g/mol)	152.17
MDL Number	MFCD00000362
SMILES	CC(=O)CC1=CC=C(F)C=C1
Synonym	4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one
IUPAC Name	1-(4-fluorophenyl)propan-2-one
InChI Key	ZUEKIIWSVFBTCM-UHFFFAOYSA-N
Molecular Formula	C9H9FO

3,5-Di-tert-butylcatechol, 99%, Thermo Scientific Chemicals

CAS: 1020-31-1 Molecular Formula: C₁₄H₂₂O₂ Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

Pricing and Availability
Specifications

PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂O₂

4-tert-Butylbenzyl chloride, 99%

CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1

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Specifications

PubChem CID	88198
CAS	19692-45-6
Molecular Weight (g/mol)	182.69
MDL Number	MFCD00000918
SMILES	CC(C)(C)C1=CC=C(CCl)C=C1
Synonym	4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene
IUPAC Name	1-tert-butyl-4-(chloromethyl)benzene
InChI Key	WAXIFMGAKWIFDQ-UHFFFAOYSA-N
Molecular Formula	C11H15Cl

4-tert-Butylphenol, 97%

CAS: 98-54-4 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(C=C1)O

Pricing and Availability
Specifications

PubChem CID	7393
CAS	98-54-4
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:34444
MDL Number	MFCD00002367
SMILES	CC(C)(C)C1=CC=C(C=C1)O
Synonym	4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol
IUPAC Name	4-tert-butylphenol
InChI Key	QHPQWRBYOIRBIT-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O

2-tert-Butyl-4-methylphenol, 99%

CAS: 2409-55-4 Molecular Formula: C₁₁H₁₆O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00002381 InChI Key: IKEHOXWJQXIQAG-UHFFFAOYSA-N Synonym: 2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol PubChem CID: 17004 IUPAC Name: 2-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)C(C)(C)C

Pricing and Availability
Specifications

PubChem CID	17004
CAS	2409-55-4
Molecular Weight (g/mol)	164.25
MDL Number	MFCD00002381
SMILES	CC1=CC(=C(C=C1)O)C(C)(C)C
Synonym	2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol
IUPAC Name	2-tert-butyl-4-methylphenol
InChI Key	IKEHOXWJQXIQAG-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆O

1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	11363
CAS	579-07-7
Molecular Weight (g/mol)	148.16
ChEBI	CHEBI:63552
MDL Number	MFCD00008755
SMILES	CC(=O)C(=O)C1=CC=CC=C1
Synonym	1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name	1-phenylpropane-1,2-dione
InChI Key	BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula	C9H8O2

sec-Butylbenzene, 99+%

CAS: 135-98-8 Molecular Formula: C₁₀H₁₄ Molecular Weight (g/mol): 134.22 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	8680
CAS	135-98-8
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:35097
MDL Number	MFCD00009329
SMILES	CCC(C)C1=CC=CC=C1
Synonym	sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene
IUPAC Name	butan-2-ylbenzene
InChI Key	ZJMWRROPUADPEA-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄

2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C₁₅H₂₄O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Pricing and Availability
Specifications

PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.35
ChEBI	CHEBI:34247
MDL Number	MFCD00011644
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C₁₅H₂₄O

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