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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151 – 165 of 1,159 results

151

4-(tert-Butyl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S

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Specifications

PubChem CID	140503
CAS	19241-24-8
Molecular Weight (g/mol)	191.292
MDL Number	MFCD00022059
SMILES	CC(C)(C)C1=CC=C(C=C1)N=C=S
IUPAC Name	1-tert-butyl-4-isothiocyanatobenzene
InChI Key	OCGNNCBNRBTUCG-UHFFFAOYSA-N
Molecular Formula	C11H13NS

152

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.

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153

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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

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Specifications

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

154

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Benzethonium chloride, 97%

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 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

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Specifications

PubChem CID	8478
CAS	121-54-0
ChEBI	CHEBI:31264
MDL Number	MFCD00011742
Synonym	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

155

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4-n-Propylphenylboronic acid, 95%, Thermo Scientific™

CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	4100861
CAS	134150-01-9
Molecular Weight (g/mol)	164.01
MDL Number	MFCD00859261
SMILES	CCCC1=CC=C(C=C1)B(O)O
Synonym	4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name	(4-propylphenyl)boronic acid
InChI Key	WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula	C9H13BO2

156

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4-tert-Butylbenzyl bromide, 97%

CAS: 18880-00-7 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 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

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PubChem CID	87836
CAS	18880-00-7
Molecular Weight (g/mol)	227.145
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

157

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

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Specifications

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

158

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2-Bromo-4,6-di-tert-butylphenol, 97%

CAS: 20834-61-1 Molecular Formula: C14H21BrO Molecular Weight (g/mol): 285.225 MDL Number: MFCD00051597 InChI Key: DIWZVAHZEOFSLS-UHFFFAOYSA-N Synonym: 2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol PubChem CID: 519822 IUPAC Name: 2-bromo-4,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C

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Specifications

PubChem CID	519822
CAS	20834-61-1
Molecular Weight (g/mol)	285.225
MDL Number	MFCD00051597
SMILES	CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C
Synonym	2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol
IUPAC Name	2-bromo-4,6-ditert-butylphenol
InChI Key	DIWZVAHZEOFSLS-UHFFFAOYSA-N
Molecular Formula	C14H21BrO

159

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3,5-Di-tert-butyl-4-hydroxybenzyl alcohol, 97%

CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

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PubChem CID	6929
CAS	88-26-6
Molecular Weight (g/mol)	236.355
MDL Number	MFCD00017254
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
Synonym	3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol
IUPAC Name	2,6-ditert-butyl-4-(hydroxymethyl)phenol
InChI Key	HNURKXXMYARGAY-UHFFFAOYSA-N
Molecular Formula	C15H24O2

160

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4-tert-Butylbenzyl chloride, 99%

CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1

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PubChem CID	88198
CAS	19692-45-6
Molecular Weight (g/mol)	182.69
MDL Number	MFCD00000918
SMILES	CC(C)(C)C1=CC=C(CCl)C=C1
Synonym	4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene
IUPAC Name	1-tert-butyl-4-(chloromethyl)benzene
InChI Key	WAXIFMGAKWIFDQ-UHFFFAOYSA-N
Molecular Formula	C11H15Cl

161

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4-tert-Butylbenzeneboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

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PubChem CID	2734320
CAS	123324-71-0
Molecular Weight (g/mol)	178.04
MDL Number	MFCD01009697
SMILES	CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym	4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name	(4-tert-butylphenyl)boronic acid
InChI Key	MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

162

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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

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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

163

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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

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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

164

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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

165

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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

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Specifications

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

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