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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 – 15 of 349 results
1

3,5-Di(tert-butyl)-4-hydroxybenzonitrile, 97%, Thermo Scientific™

CAS: 1988-88-1 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.34 MDL Number: MFCD00156137 InChI Key: AKXIIOLURNATOC-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile PubChem CID: 137274 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

PubChem CID 137274
CAS 1988-88-1
Molecular Weight (g/mol) 231.34
MDL Number MFCD00156137
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Synonym 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile
InChI Key AKXIIOLURNATOC-UHFFFAOYSA-N
Molecular Formula C15H21NO
2

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

MDL Number: MFCD00002366 Synonym: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

MDL Number MFCD00002366
Synonym 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol
3

TraceCERT™ Lilial, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

4

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

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
5

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

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
6

Tyrphostin A9, 98+%

CAS: 10537-47-0 Molecular Formula: C18H22N2O Molecular Weight (g/mol): 282.387 MDL Number: MFCD00209853 InChI Key: MZOPWQKISXCCTP-UHFFFAOYSA-N Synonym: tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 PubChem CID: 5614 ChEBI: CHEBI:82168 IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N

PubChem CID 5614
CAS 10537-47-0
Molecular Weight (g/mol) 282.387
ChEBI CHEBI:82168
MDL Number MFCD00209853
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N
Synonym tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200
IUPAC Name 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
InChI Key MZOPWQKISXCCTP-UHFFFAOYSA-N
Molecular Formula C18H22N2O
7

Hexestrol, 98+%, Thermo Scientific Chemicals

CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

PubChem CID 192197
CAS 84-16-2
Molecular Weight (g/mol) 270.37
MDL Number MFCD00068996
SMILES CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar
InChI Key PBBGSZCBWVPOOL-UHFFFAOYNA-N
Molecular Formula C18H22O2
8

Propylbenzene, 98%

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

PubChem CID 7668
CAS 103-65-1
Molecular Weight (g/mol) 120.20
ChEBI CHEBI:42630
MDL Number MFCD00009377
SMILES CCCC1=CC=CC=C1
Synonym n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n
IUPAC Name propylbenzene
InChI Key ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Formula C9H12
9

4-tert-Butylbenzaldehyde, 95%

CAS: 939-97-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00035742 InChI Key: OTXINXDGSUFPNU-UHFFFAOYSA-N Synonym: 4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl PubChem CID: 70324 IUPAC Name: 4-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC=C(C=O)C=C1

PubChem CID 70324
CAS 939-97-9
Molecular Weight (g/mol) 162.23
MDL Number MFCD00035742
SMILES CC(C)(C)C1=CC=C(C=O)C=C1
Synonym 4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl
IUPAC Name 4-tert-butylbenzaldehyde
InChI Key OTXINXDGSUFPNU-UHFFFAOYSA-N
Molecular Formula C11H14O
10

4-(2-Cyano-2-propyl)benzeneboronic acid, 97%, Thermo Scientific™

CAS: 850568-67-1 Molecular Formula: C10H12BNO2 Molecular Weight (g/mol): 189.021 MDL Number: MFCD06659832 InChI Key: BNXBFDTWYHAEIR-UHFFFAOYSA-N Synonym: 2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl PubChem CID: 44119324 IUPAC Name: [4-(2-cyanopropan-2-yl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O

PubChem CID 44119324
CAS 850568-67-1
Molecular Weight (g/mol) 189.021
MDL Number MFCD06659832
SMILES B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O
Synonym 2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl
IUPAC Name [4-(2-cyanopropan-2-yl)phenyl]boronic acid
InChI Key BNXBFDTWYHAEIR-UHFFFAOYSA-N
Molecular Formula C10H12BNO2
11

2,4-Di-tert-butylphenol, 97%

CAS: 96-76-4 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

PubChem CID 7311
CAS 96-76-4
MDL Number MFCD00008828
SMILES CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
Synonym 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt
IUPAC Name 2,4-ditert-butylphenol
InChI Key ICKWICRCANNIBI-UHFFFAOYSA-N
12

4-tert-Butylaniline, 99%

CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N

PubChem CID 69861
CAS 769-92-6
Molecular Weight (g/mol) 149.24
MDL Number MFCD00007899
SMILES CC(C)(C)C1=CC=C(C=C1)N
Synonym 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine
IUPAC Name 4-tert-butylaniline
InChI Key WRDWWAVNELMWAM-UHFFFAOYSA-N
Molecular Formula C10H15N
13

1-(4-Fluorophenyl)-2-methyl-2-propylamine, 96%

CAS: 1200-27-7 Molecular Formula: C10H14FN Molecular Weight (g/mol): 167.227 MDL Number: MFCD00082702 InChI Key: JITFIYFVPMQJOK-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl-2-methylpropan-2-amine,1-4-fluorophenyl-2-methyl-2-propylamine,4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-propanamine,1-4-fluorophenyl-2-methylprop-2-ylamine,1-4-fluorophenyl-2-methyl-propan-2-amine,1,1-dimethyl-2-4-fluorophenyl ethylamine,2-4-fluoro-phenyl-1,1-dimethyl-ethylamine,acmc-1alz4 PubChem CID: 518471 IUPAC Name: 1-(4-fluorophenyl)-2-methylpropan-2-amine SMILES: CC(C)(CC1=CC=C(C=C1)F)N

PubChem CID 518471
CAS 1200-27-7
Molecular Weight (g/mol) 167.227
MDL Number MFCD00082702
SMILES CC(C)(CC1=CC=C(C=C1)F)N
Synonym 1-4-fluorophenyl-2-methylpropan-2-amine,1-4-fluorophenyl-2-methyl-2-propylamine,4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-propanamine,1-4-fluorophenyl-2-methylprop-2-ylamine,1-4-fluorophenyl-2-methyl-propan-2-amine,1,1-dimethyl-2-4-fluorophenyl ethylamine,2-4-fluoro-phenyl-1,1-dimethyl-ethylamine,acmc-1alz4
IUPAC Name 1-(4-fluorophenyl)-2-methylpropan-2-amine
InChI Key JITFIYFVPMQJOK-UHFFFAOYSA-N
Molecular Formula C10H14FN
14

3,5-Di-tert-butyltoluene, 98+%, Thermo Scientific Chemicals

CAS: 15181-11-0 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00026300 InChI Key: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene PubChem CID: 84819 IUPAC Name: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 84819
CAS 15181-11-0
Molecular Weight (g/mol) 204.357
MDL Number MFCD00026300
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene
IUPAC Name 1,3-ditert-butyl-5-methylbenzene
InChI Key WIXDSJRJFDWTNY-UHFFFAOYSA-N
Molecular Formula C15H24
15

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

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