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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
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2,6-Di-tert-butyl-4-methylphenol, 99.8%

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

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
2
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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

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
3
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2,4,6-Tri-tert-butylphenol, 97%

CAS: 732-26-3 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.44 MDL Number: MFCD00008821 InChI Key: PFEFOYRSMXVNEL-UHFFFAOYSA-N Synonym: 2,4,6-tri-tert-butylphenol,voidox,alkofen b,2,4,6-tris tert-butyl phenol,2,4,6-tri-t-butylphenol,phenol, 2,4,6-tris 1,1-dimethylethyl,phenol, 2,4,6-tri-tert-butyl,2,4,6-tris 1,1-dimethylethyl phenol,unii-99j2vic675,tris 1,1-dimethylethyl phenol PubChem CID: 12902 SMILES: CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 12902
CAS 732-26-3
Molecular Weight (g/mol) 262.44
MDL Number MFCD00008821
SMILES CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Synonym 2,4,6-tri-tert-butylphenol,voidox,alkofen b,2,4,6-tris tert-butyl phenol,2,4,6-tri-t-butylphenol,phenol, 2,4,6-tris 1,1-dimethylethyl,phenol, 2,4,6-tri-tert-butyl,2,4,6-tris 1,1-dimethylethyl phenol,unii-99j2vic675,tris 1,1-dimethylethyl phenol
InChI Key PFEFOYRSMXVNEL-UHFFFAOYSA-N
Molecular Formula C18H30O
5

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

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
6

3-Chlorophenylacetone, 94%

CAS: 14123-60-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00082872 InChI Key: VCNYPJMEQHTAHS-UHFFFAOYSA-N PubChem CID: 2734097 IUPAC Name: 1-(3-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC(Cl)=C1

PubChem CID 2734097
CAS 14123-60-5
Molecular Weight (g/mol) 168.62
MDL Number MFCD00082872
SMILES CC(=O)CC1=CC=CC(Cl)=C1
IUPAC Name 1-(3-chlorophenyl)propan-2-one
InChI Key VCNYPJMEQHTAHS-UHFFFAOYSA-N
Molecular Formula C9H9ClO
7

3-Fluorophenylacetone, 98%, Thermo Scientific™

CAS: 1737-19-5 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00061144 InChI Key: UWCPYXSRCQVABG-UHFFFAOYSA-N Synonym: 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone PubChem CID: 137185 IUPAC Name: 1-(3-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)F

PubChem CID 137185
CAS 1737-19-5
Molecular Weight (g/mol) 152.17
MDL Number MFCD00061144
SMILES CC(=O)CC1=CC(=CC=C1)F
Synonym 3-fluorophenylacetone,1-3-fluorophenyl propan-2-one,1-3-fluorophenyl acetone,acmc-1bqff,m-fluorophenyl-2-propanone,1-3-fluorophenyl acetone #,1-3-fluorophenyl-2-propanone
IUPAC Name 1-(3-fluorophenyl)propan-2-one
InChI Key UWCPYXSRCQVABG-UHFFFAOYSA-N
Molecular Formula C9H9FO
8

3-Bromophenylacetone, 98+%

CAS: 21906-32-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD00210400 InChI Key: FQIZFAJMBXZVOL-UHFFFAOYSA-N Synonym: 1-3-bromophenyl propan-2-one,3-bromophenylacetone,1-3-bromophenyl-2-propanone,1-3-bromophenyl acetone,2-propanone, 1-3-bromophenyl,3-bromophenyl acetone,ksc492m0h,1-3-bromo-phenyl propan-2-one PubChem CID: 2734093 IUPAC Name: 1-(3-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)Br

PubChem CID 2734093
CAS 21906-32-1
Molecular Weight (g/mol) 213.08
MDL Number MFCD00210400
SMILES CC(=O)CC1=CC(=CC=C1)Br
Synonym 1-3-bromophenyl propan-2-one,3-bromophenylacetone,1-3-bromophenyl-2-propanone,1-3-bromophenyl acetone,2-propanone, 1-3-bromophenyl,3-bromophenyl acetone,ksc492m0h,1-3-bromo-phenyl propan-2-one
IUPAC Name 1-(3-bromophenyl)propan-2-one
InChI Key FQIZFAJMBXZVOL-UHFFFAOYSA-N
Molecular Formula C9H9BrO
9

4-Bromophenylacetone, 97%

CAS: 6186-22-7 Molecular Formula: C24H24N2O5S Molecular Weight (g/mol): 452.53 MDL Number: MFCD00210401 InChI Key: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonym: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone PubChem CID: 736332 SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1

PubChem CID 736332
CAS 6186-22-7
Molecular Weight (g/mol) 452.53
MDL Number MFCD00210401
SMILES COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
Synonym 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone
InChI Key CDUPPXGKUKTGLU-UHFFFAOYSA-N
Molecular Formula C24H24N2O5S
10

2,6-Difluorophenylacetone, 98%, Thermo Scientific Chemicals

CAS: 101712-20-3 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

PubChem CID 2734927
CAS 101712-20-3
Molecular Weight (g/mol) 170.16
SMILES CC(=O)CC1=C(C=CC=C1F)F
Synonym 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name 1-(2,6-difluorophenyl)propan-2-one
InChI Key LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula C9H8F2O
11

2-Bromophenylacetone, 99%

CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD03410431 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br

PubChem CID 2734092
CAS 21906-31-0
Molecular Weight (g/mol) 213.08
MDL Number MFCD03410431
SMILES CC(=O)CC1=CC=CC=C1Br
Synonym 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388
IUPAC Name 1-(2-bromophenyl)propan-2-one
InChI Key TZIAZLUAMDLDJF-UHFFFAOYSA-N
Molecular Formula C9H9BrO
12

4-tert-Butyltoluene, 96%

CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C

PubChem CID 7390
CAS 98-51-1
Molecular Weight (g/mol) 148.25
MDL Number MFCD00008837
SMILES CC1=CC=C(C=C1)C(C)(C)C
Synonym 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene
IUPAC Name 1-tert-butyl-4-methylbenzene
InChI Key QCWXDVFBZVHKLV-UHFFFAOYSA-N
Molecular Formula C11H16
13

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

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
14

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

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
15

4-Methoxyphenylacetone, 98+%

CAS: 122-84-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00008773 InChI Key: WFWKNGZODAOLEO-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetone,p-acetonylanisole,anisketone,1-4-methoxyphenyl propan-2-one,2-propanone, 1-4-methoxyphenyl,anisyl methyl ketone,p-methoxyphenylacetone,4-methoxybenzyl methyl ketone,1-p-methoxyphenyl-2-propanone,anisic ketone PubChem CID: 31231 IUPAC Name: 1-(4-methoxyphenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)OC

PubChem CID 31231
CAS 122-84-9
Molecular Weight (g/mol) 164.2
MDL Number MFCD00008773
SMILES CC(=O)CC1=CC=C(C=C1)OC
Synonym 4-methoxyphenylacetone,p-acetonylanisole,anisketone,1-4-methoxyphenyl propan-2-one,2-propanone, 1-4-methoxyphenyl,anisyl methyl ketone,p-methoxyphenylacetone,4-methoxybenzyl methyl ketone,1-p-methoxyphenyl-2-propanone,anisic ketone
IUPAC Name 1-(4-methoxyphenyl)propan-2-one
InChI Key WFWKNGZODAOLEO-UHFFFAOYSA-N
Molecular Formula C10H12O2