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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

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
5

3-tert-Butylphenol, 99+%

CAS: 585-34-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002300 InChI Key: CYEKUDPFXBLGHH-UHFFFAOYSA-N Synonym: m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol PubChem CID: 11450 ChEBI: CHEBI:34348 IUPAC Name: 3-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC(O)=C1

PubChem CID 11450
CAS 585-34-2
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:34348
MDL Number MFCD00002300
SMILES CC(C)(C)C1=CC=CC(O)=C1
Synonym m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol
IUPAC Name 3-tert-butylphenol
InChI Key CYEKUDPFXBLGHH-UHFFFAOYSA-N
Molecular Formula C10H14O
6

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

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
7

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
8

4-tert-Amylphenol, 99%

CAS: 80-46-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 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

PubChem CID 6643
CAS 80-46-6
Molecular Weight (g/mol) 164.25
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
9

2,5-Di-tert-butylhydroquinone, 99%

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
10

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
11

Benzethonium chloride, 97%

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.08 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 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

PubChem CID 8478
CAS 121-54-0
Molecular Weight (g/mol) 448.08
ChEBI CHEBI:31264
MDL Number MFCD00011742
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
12

1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

PubChem CID 77595
CAS 3972-65-4
Molecular Weight (g/mol) 213.12
MDL Number MFCD00000108
SMILES CC(C)(C)C1=CC=C(C=C1)Br
Synonym 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name 1-bromo-4-tert-butylbenzene
InChI Key XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula C10H13Br
13

4-tert-Butylbenzylamine, 97%

CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.26 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

PubChem CID 2735655
CAS 39895-55-1
Molecular Weight (g/mol) 163.26
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
14

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
15

4-chlorophenylacetone, 98%

CAS: 5586-88-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045214 InChI Key: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonym: 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone PubChem CID: 79699 IUPAC Name: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1

PubChem CID 79699
CAS 5586-88-9
Molecular Weight (g/mol) 168.62
MDL Number MFCD00045214
SMILES CC(=O)CC1=CC=C(Cl)C=C1
Synonym 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone
IUPAC Name 1-(4-chlorophenyl)propan-2-one
InChI Key WEJRYKSUUFKMBC-UHFFFAOYSA-N
Molecular Formula C9H9ClO