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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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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
2

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
3
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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
4

2-Methyl-1-phenyl-1-propanol, 98%

CAS: 611-69-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00065000 InChI Key: GMDYDZMQHRTHJA-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9 PubChem CID: 95626 IUPAC Name: 2-methyl-1-phenylpropan-1-ol SMILES: CC(C)C(C1=CC=CC=C1)O

PubChem CID 95626
CAS 611-69-8
Molecular Weight (g/mol) 150.221
MDL Number MFCD00065000
SMILES CC(C)C(C1=CC=CC=C1)O
Synonym 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9
IUPAC Name 2-methyl-1-phenylpropan-1-ol
InChI Key GMDYDZMQHRTHJA-UHFFFAOYSA-N
Molecular Formula C10H14O
6

(S)-(+)-2-Phenylbutyric acid, 99%

CAS: 4286-15-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00063164 InChI Key: OFJWFSNDPCAWDK-VIFPVBQESA-N Synonym: s-+-2-phenylbutyric acid,s-2-phenylbutanoic acid,2s-2-phenylbutanoic acid,s-2-phenylbutyric acid,pubchem9874,2-phenylbutyric acid, s,s--2-phenyl-mutyric acid,s-+-2-phenylbutanoic acid,s-+-2-phenyl-mutyric acid PubChem CID: 785329 IUPAC Name: (2S)-2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

PubChem CID 785329
CAS 4286-15-1
Molecular Weight (g/mol) 164.204
MDL Number MFCD00063164
SMILES CCC(C1=CC=CC=C1)C(=O)O
Synonym s-+-2-phenylbutyric acid,s-2-phenylbutanoic acid,2s-2-phenylbutanoic acid,s-2-phenylbutyric acid,pubchem9874,2-phenylbutyric acid, s,s--2-phenyl-mutyric acid,s-+-2-phenylbutanoic acid,s-+-2-phenyl-mutyric acid
IUPAC Name (2S)-2-phenylbutanoic acid
InChI Key OFJWFSNDPCAWDK-VIFPVBQESA-N
Molecular Formula C10H12O2
7

Diethylstilbestrol, 99%

CAS: 56-53-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol PubChem CID: 448537 ChEBI: CHEBI:41922 SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

PubChem CID 448537
CAS 56-53-1
Molecular Weight (g/mol) 268.36
ChEBI CHEBI:41922
MDL Number MFCD00002373
SMILES CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol
InChI Key RGLYKWWBQGJZGM-ISLYRVAYSA-N
Molecular Formula C18H20O2
8
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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
9

4-tert-Butylaniline, 98+%

CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 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) 149.237
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
10

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

CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.118 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) 213.118
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
11
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Cumyl hydroperoxide, 80%

CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 SMILES: CC(C)(OO)C1=CC=CC=C1

PubChem CID 6629
CAS 80-15-9
Molecular Weight (g/mol) 152.19
ChEBI CHEBI:78673
MDL Number MFCD00002129
SMILES CC(C)(OO)C1=CC=CC=C1
Synonym cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene
InChI Key YQHLDYVWEZKEOX-UHFFFAOYSA-N
Molecular Formula C9H12O2
12

2-(4-tert-Butylphenyl)ethanol, 96%

CAS: 5406-86-0 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00236023 InChI Key: NZGMMENPUKHODD-UHFFFAOYSA-N Synonym: 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl PubChem CID: 79410 IUPAC Name: 2-(4-tert-butylphenyl)ethanol SMILES: CC(C)(C)C1=CC=C(C=C1)CCO

PubChem CID 79410
CAS 5406-86-0
Molecular Weight (g/mol) 178.275
MDL Number MFCD00236023
SMILES CC(C)(C)C1=CC=C(C=C1)CCO
Synonym 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl
IUPAC Name 2-(4-tert-butylphenyl)ethanol
InChI Key NZGMMENPUKHODD-UHFFFAOYSA-N
Molecular Formula C12H18O
13
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tert-Butylbenzene, 99%

CAS: 98-06-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008816 InChI Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N Synonym: t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene PubChem CID: 7366 IUPAC Name: tert-butylbenzene SMILES: CC(C)(C)C1=CC=CC=C1

PubChem CID 7366
CAS 98-06-6
Molecular Weight (g/mol) 134.22
MDL Number MFCD00008816
SMILES CC(C)(C)C1=CC=CC=C1
Synonym t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene
IUPAC Name tert-butylbenzene
InChI Key YTZKOQUCBOVLHL-UHFFFAOYSA-N
Molecular Formula C10H14
15

4-(tert-Butyl)benzylbromide, 97%

CAS: 18880-00-7 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.14 MDL Number: MFCD00000180 InChI Key: QZNQSIHCDAGZIA-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide PubChem CID: 87836 IUPAC Name: 1-(bromomethyl)-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)CBr

PubChem CID 87836
CAS 18880-00-7
Molecular Weight (g/mol) 227.14
MDL Number MFCD00000180
SMILES CC(C)(C)C1=CC=C(C=C1)CBr
Synonym 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide
IUPAC Name 1-(bromomethyl)-4-tert-butylbenzene
InChI Key QZNQSIHCDAGZIA-UHFFFAOYSA-N
Molecular Formula C11H15Br