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

4-tert-Pentylphenol, 99%

CAS: 80-46-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002369 InChI Key: NRZWYNLTFLDQQX-UHFFFAOYSA-N Synonym: 4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol PubChem CID: 6643 ChEBI: CHEBI:35096 IUPAC Name: 4-(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	6643
CAS	80-46-6
Molecular Weight (g/mol)	164.248
ChEBI	CHEBI:35096
MDL Number	MFCD00002369
SMILES	CCC(C)(C)C1=CC=C(C=C1)O
Synonym	4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol
IUPAC Name	4-(2-methylbutan-2-yl)phenol
InChI Key	NRZWYNLTFLDQQX-UHFFFAOYSA-N
Molecular Formula	C11H16O

(R)-(-)-2-Phenylbutyric acid, 99%

CAS: 938-79-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00063165 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYNA-N Synonym: r---2-phenylbutyric acid,2r-2-phenylbutanoic acid,2-phenylbutyric acid, r,r-2-phenylbutyric acid,benzeneacetic acid, alpha-ethyl-, r,r-2-phenylbutanoic acid,2r-2-phenyl-butanoic acid,2r-2-phenyl-mutanoic acid,r---2-phenylbutanoic acid,benzeneacetic acid,a-ethyl-, ar PubChem CID: 785330 IUPAC Name: (2R)-2-phenylbutanoic acid SMILES: CCC(C(O)=O)C1=CC=CC=C1

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Specifications

PubChem CID	785330
CAS	938-79-4
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00063165
SMILES	CCC(C(O)=O)C1=CC=CC=C1
Synonym	r---2-phenylbutyric acid,2r-2-phenylbutanoic acid,2-phenylbutyric acid, r,r-2-phenylbutyric acid,benzeneacetic acid, alpha-ethyl-, r,r-2-phenylbutanoic acid,2r-2-phenyl-butanoic acid,2r-2-phenyl-mutanoic acid,r---2-phenylbutanoic acid,benzeneacetic acid,a-ethyl-, ar
IUPAC Name	(2R)-2-phenylbutanoic acid
InChI Key	OFJWFSNDPCAWDK-UHFFFAOYNA-N
Molecular Formula	C10H12O2

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

CAS: 2409-55-4 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 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

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Specifications

PubChem CID	17004
CAS	2409-55-4
Molecular Weight (g/mol)	164.248
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

3,5-Di-tert-butylcatechol, 99%

CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 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

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Specifications

PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.328
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-Isobutylbenzeneboronic acid, 98%

CAS: 153624-38-5 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.038 MDL Number: MFCD01632198 InChI Key: YZSPHVWALUJQNK-UHFFFAOYSA-N Synonym: 4-isobutylphenylboronic acid,4-isobutylbenzeneboronic acid,4-isobutylphenyl boronic acid,4-2-methylpropyl phenylboronic acid,4-2-methylpropyl phenyl boronic acid,4-2-methylpropyl phenyl boranediol,boronic acid, 4-2-methylpropyl phenyl,boronic acid,b-4-2-methylpropyl phenyl,4-iso-butylphenylboronic acid,pubchem20832 PubChem CID: 2773472 IUPAC Name: [4-(2-methylpropyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CC(C)C)(O)O

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Specifications

PubChem CID	2773472
CAS	153624-38-5
Molecular Weight (g/mol)	178.038
MDL Number	MFCD01632198
SMILES	B(C1=CC=C(C=C1)CC(C)C)(O)O
Synonym	4-isobutylphenylboronic acid,4-isobutylbenzeneboronic acid,4-isobutylphenyl boronic acid,4-2-methylpropyl phenylboronic acid,4-2-methylpropyl phenyl boronic acid,4-2-methylpropyl phenyl boranediol,boronic acid, 4-2-methylpropyl phenyl,boronic acid,b-4-2-methylpropyl phenyl,4-iso-butylphenylboronic acid,pubchem20832
IUPAC Name	[4-(2-methylpropyl)phenyl]boronic acid
InChI Key	YZSPHVWALUJQNK-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

1-(4-tert-Butylbenzyl)piperazine, 97%, Thermo Scientific™

CAS: 956-61-6 Molecular Formula: C15H24N2 Molecular Weight (g/mol): 232.37 MDL Number: MFCD00082594 InChI Key: UQLCETYSARZZSR-UHFFFAOYSA-N Synonym: 1-4-tert-butylbenzyl piperazine,1-4-tert-butyl benzyl piperazine,1-4-tert-butylphenyl methyl piperazine,piperazine, 1-4-1,1-dimethylethyl phenyl methyl,4-tert-butyl phenyl methyl piperazine,1-4-t-butylbenzyl piperazine,1-4-tert-butyl-benzyl-piperazine PubChem CID: 2735657 IUPAC Name: 1-[(4-tert-butylphenyl)methyl]piperazine SMILES: CC(C)(C)C1=CC=C(CN2CCNCC2)C=C1

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Specifications

PubChem CID	2735657
CAS	956-61-6
Molecular Weight (g/mol)	232.37
MDL Number	MFCD00082594
SMILES	CC(C)(C)C1=CC=C(CN2CCNCC2)C=C1
Synonym	1-4-tert-butylbenzyl piperazine,1-4-tert-butyl benzyl piperazine,1-4-tert-butylphenyl methyl piperazine,piperazine, 1-4-1,1-dimethylethyl phenyl methyl,4-tert-butyl phenyl methyl piperazine,1-4-t-butylbenzyl piperazine,1-4-tert-butyl-benzyl-piperazine
IUPAC Name	1-[(4-tert-butylphenyl)methyl]piperazine
InChI Key	UQLCETYSARZZSR-UHFFFAOYSA-N
Molecular Formula	C15H24N2

4-tert-Butylbenzeneboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	2734320
CAS	123324-71-0
Molecular Weight (g/mol)	178.04
MDL Number	MFCD01009697
SMILES	CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym	4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name	(4-tert-butylphenyl)boronic acid
InChI Key	MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

4-tert-Butylphenol, 99%

CAS: 98-54-4 Molecular Formula: C10H14O 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

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Specifications

PubChem CID	7393
CAS	98-54-4
ChEBI	CHEBI:34444
MDL Number	MFCD00002367
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

2,6-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

4,4'-Isopropylidenediphenol, 97%

CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	6623
CAS	80-05-7
Molecular Weight (g/mol)	228.29
ChEBI	CHEBI:33216
MDL Number	MFCD00002366
SMILES	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian
IUPAC Name	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI Key	IISBACLAFKSPIT-UHFFFAOYSA-N
Molecular Formula	C15H16O2

tert-Butylhydroquinone, 97%

CAS: 1948-33-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002344 InChI Key: BGNXCDMCOKJUMV-UHFFFAOYSA-N Synonym: tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane PubChem CID: 16043 ChEBI: CHEBI:78886 IUPAC Name: 2-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=C(C=CC(=C1)O)O

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Specifications

PubChem CID	16043
CAS	1948-33-0
Molecular Weight (g/mol)	166.22
ChEBI	CHEBI:78886
MDL Number	MFCD00002344
SMILES	CC(C)(C)C1=C(C=CC(=C1)O)O
Synonym	tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane
IUPAC Name	2-tert-butylbenzene-1,4-diol
InChI Key	BGNXCDMCOKJUMV-UHFFFAOYSA-N
Molecular Formula	C10H14O2

2-Methyl-3-phenyl-1-propene, 99%

CAS: 3290-53-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00039815 InChI Key: MXTNFIYGTWARIN-UHFFFAOYSA-N Synonym: 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene PubChem CID: 18687 IUPAC Name: 2-methylprop-2-enylbenzene SMILES: CC(=C)CC1=CC=CC=C1

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Specifications

PubChem CID	18687
CAS	3290-53-7
Molecular Weight (g/mol)	132.206
MDL Number	MFCD00039815
SMILES	CC(=C)CC1=CC=CC=C1
Synonym	2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene
IUPAC Name	2-methylprop-2-enylbenzene
InChI Key	MXTNFIYGTWARIN-UHFFFAOYSA-N
Molecular Formula	C10H12

Thermo Scientific Chemicals Anastrozole, 98%

CAS: 120511-73-1 Molecular Formula: C₁₇H₁₉N₅ Molecular Weight (g/mol): 293.37 InChI Key: YBBLVLTVTVSKRW-UHFFFAOYSA-N Synonym: anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn PubChem CID: 2187 ChEBI: CHEBI:2704 IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N

Pricing and Availability
Specifications

PubChem CID	2187
CAS	120511-73-1
Molecular Weight (g/mol)	293.37
ChEBI	CHEBI:2704
SMILES	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
Synonym	anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn
IUPAC Name	2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
InChI Key	YBBLVLTVTVSKRW-UHFFFAOYSA-N
Molecular Formula	C₁₇H₁₉N₅

4-tert-Butylcatechol, 98%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

Pricing and Availability
Specifications

PubChem CID	7381
CAS	98-29-3
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00002201
SMILES	CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym	4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name	4-tert-butylbenzene-1,2-diol
InChI Key	XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O2

Benzethonium chloride, 97%

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264

Pricing and Availability
Specifications

PubChem CID	8478
CAS	121-54-0
ChEBI	CHEBI:31264
MDL Number	MFCD00011742
Synonym	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

Phenylpropanes

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