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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2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

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PubChem CID	33712
CAS	1074-92-6
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00059209
SMILES	CC1=CC=CC=C1C(C)(C)C
IUPAC Name	1-tert-butyl-2-methylbenzene
InChI Key	AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula	C11H16

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2-Fluorophenylacetone, 98%

CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F

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PubChem CID	76086
CAS	2836-82-0
Molecular Weight (g/mol)	152.168
MDL Number	MFCD00000325
SMILES	CC(=O)CC1=CC=CC=C1F
Synonym	2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone #
IUPAC Name	1-(2-fluorophenyl)propan-2-one
InChI Key	BANVZEUCJHUPOI-UHFFFAOYSA-N
Molecular Formula	C9H9FO

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4-tert-Butylbenzylamine, 98%

CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN

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PubChem CID	2735655
CAS	39895-55-1
Molecular Weight (g/mol)	163.264
MDL Number	MFCD00040754
SMILES	CC(C)(C)C1=CC=C(C=C1)CN
Synonym	4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine
IUPAC Name	(4-tert-butylphenyl)methanamine
InChI Key	MPWSRGAWRAYBJK-UHFFFAOYSA-N
Molecular Formula	C11H17N

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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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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

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1-Phenyl-1,2-propanedione-2-oxime, 99%

CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-hydroxyimino-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1

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PubChem CID	9566063
CAS	119-51-7
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00002115
SMILES	C\C(=N/O)C(=O)C1=CC=CC=C1
Synonym	1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone
IUPAC Name	(2E)-2-hydroxyimino-1-phenylpropan-1-one
InChI Key	YPINLRNGSGGJJT-JXMROGBWSA-N
Molecular Formula	C9H9NO2

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1,3-Di-tert-butyl-2-methoxybenzene, 99%

CAS: 1516-95-6 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 MDL Number: MFCD20483412 InChI Key: OGIJRUWUWSZKAV-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole PubChem CID: 12794694 IUPAC Name: 1,3-ditert-butyl-2-methoxybenzene SMILES: COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C

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PubChem CID	12794694
CAS	1516-95-6
Molecular Weight (g/mol)	220.36
MDL Number	MFCD20483412
SMILES	COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C
Synonym	1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole
IUPAC Name	1,3-ditert-butyl-2-methoxybenzene
InChI Key	OGIJRUWUWSZKAV-UHFFFAOYSA-N
Molecular Formula	C15H24O

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1-Bromo-4-n-propylbenzene, 99%

CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br

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PubChem CID	136374
CAS	588-93-2
Molecular Weight (g/mol)	199.091
MDL Number	MFCD00012456
SMILES	CCCC1=CC=C(C=C1)Br
Synonym	1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762
IUPAC Name	1-bromo-4-propylbenzene
InChI Key	NUPWGLKBGVNSJX-UHFFFAOYSA-N
Molecular Formula	C9H11Br

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1,3-Di-tert-butylbenzene, 99%

CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

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PubChem CID	136810
CAS	1014-60-4
Molecular Weight (g/mol)	190.33
MDL Number	MFCD00008830
SMILES	CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
Synonym	1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene
IUPAC Name	1,3-ditert-butylbenzene
InChI Key	ILNDSSCEZZFNGE-UHFFFAOYSA-N
Molecular Formula	C14H22

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3,4-Dimethoxyphenylacetone, 97%

CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC

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PubChem CID	69896
CAS	776-99-8
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008772
SMILES	COC1=CC=C(CC(C)=O)C=C1OC
Synonym	3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone
IUPAC Name	1-(3,4-dimethoxyphenyl)propan-2-one
InChI Key	UMYZWICEDUEWIM-UHFFFAOYSA-N
Molecular Formula	C11H14O3

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5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals

CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O

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PubChem CID	14740579
CAS	128733-85-7
Molecular Weight (g/mol)	208.064
MDL Number	MFCD06201034
SMILES	B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
Synonym	5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl
IUPAC Name	(5-tert-butyl-2-methoxyphenyl)boronic acid
InChI Key	LXFOJKCQSAYVMF-UHFFFAOYSA-N
Molecular Formula	C11H17BO3

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2-Chlorophenylacetone, 96%

CAS: 6305-95-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045175 InChI Key: LWGNDIMNCPMZOF-UHFFFAOYSA-N Synonym: 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one PubChem CID: 229355 IUPAC Name: 1-(2-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Cl

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PubChem CID	229355
CAS	6305-95-9
Molecular Weight (g/mol)	168.62
MDL Number	MFCD00045175
SMILES	CC(=O)CC1=CC=CC=C1Cl
Synonym	2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one
IUPAC Name	1-(2-chlorophenyl)propan-2-one
InChI Key	LWGNDIMNCPMZOF-UHFFFAOYSA-N
Molecular Formula	C9H9ClO

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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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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

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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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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

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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

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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

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2,5-Di-tert-butylhydroquinone, 98+%

CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C

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Specifications

PubChem CID	2374
CAS	88-58-4
Molecular Weight (g/mol)	222.33
ChEBI	CHEBI:41094
MDL Number	MFCD00008825
SMILES	CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
Synonym	2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone
IUPAC Name	2,5-ditert-butylbenzene-1,4-diol
InChI Key	JZODKRWQWUWGCD-UHFFFAOYSA-N
Molecular Formula	C14H22O2

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