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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alpha,alpha-Dimethylphenylacetic acid

CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1

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Specifications

PubChem CID	13222
CAS	826-55-1
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00014332
SMILES	CC(C)(C(O)=O)C1=CC=CC=C1
Synonym	2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl
IUPAC Name	2-methyl-2-phenylpropanoic acid
InChI Key	YYEROYLAYAVZNW-UHFFFAOYSA-N
Molecular Formula	C10H12O2

alpha,alpha-Dimethylbenzylamine, 96%

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

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Specifications

PubChem CID	68509
CAS	585-32-0
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00134680
SMILES	CC(C)(N)C1=CC=CC=C1
Synonym	cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name	2-phenylpropan-2-amine
InChI Key	KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula	C9H13N

4-Chloro-alpha,alpha-dimethylphenylacetic acid, 98%

CAS: 6258-30-6 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD00044814 InChI Key: SSFDAZXGUKDEAH-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid PubChem CID: 80406 IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoic acid SMILES: CC(C)(C1=CC=C(C=C1)Cl)C(=O)O

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Specifications

PubChem CID	80406
CAS	6258-30-6
Molecular Weight (g/mol)	198.646
MDL Number	MFCD00044814
SMILES	CC(C)(C1=CC=C(C=C1)Cl)C(=O)O
Synonym	2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid
IUPAC Name	2-(4-chlorophenyl)-2-methylpropanoic acid
InChI Key	SSFDAZXGUKDEAH-UHFFFAOYSA-N
Molecular Formula	C10H11ClO2

alpha-Isopropylphenylacetic acid, 97%

CAS: 3508-94-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021708 InChI Key: HDLQGISFYDYWFJ-UHFFFAOYSA-N Synonym: alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid PubChem CID: 19024 IUPAC Name: 3-methyl-2-phenylbutanoic acid SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O

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Specifications

PubChem CID	19024
CAS	3508-94-9
Molecular Weight (g/mol)	178.231
MDL Number	MFCD00021708
SMILES	CC(C)C(C1=CC=CC=C1)C(=O)O
Synonym	alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid
IUPAC Name	3-methyl-2-phenylbutanoic acid
InChI Key	HDLQGISFYDYWFJ-UHFFFAOYSA-N
Molecular Formula	C11H14O2

Alpha,Alpha,Alpha’,Alpha’-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile, TRC

CAS: 1027160-12-8 Molecular Formula: C15 H16 Br2 N2 Molecular Weight (g/mol): 384.11 Synonym: 1,3-Benzenediacetonitrile, 5-(dibromomethyl)-α1,α1,α3,α3-tetramethyl-,5-(Dibromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile SMILES: CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C(Br)Br

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Specifications

CAS	1027160-12-8
Molecular Weight (g/mol)	384.11
SMILES	CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C(Br)Br
Synonym	1,3-Benzenediacetonitrile, 5-(dibromomethyl)-α1,α1,α3,α3-tetramethyl-,5-(Dibromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
IUPAC Name	2-[3-(2-cyanopropan-2-yl)-5-(dibromomethyl)phenyl]-2-methylpropanenitrile
Molecular Formula	C15 H16 Br2 N2

Alpha,Alpha,3,5-Tetramethyl-benzeneacetonitrile, TRC

CAS: 93748-07-3 Molecular Formula: C12H15N Molecular Weight (g/mol): 173.25 Synonym: 2-(3,5-Dimethylphenyl)-2-methylpropionitrile IUPAC Name: 2-(3,5-dimethylphenyl)-2-methylpropanenitrile SMILES: Cc1cc(C)cc(c1)C(C)(C)C#N

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Specifications

CAS	93748-07-3
Molecular Weight (g/mol)	173.25
SMILES	Cc1cc(C)cc(c1)C(C)(C)C#N
Synonym	2-(3,5-Dimethylphenyl)-2-methylpropionitrile
IUPAC Name	2-(3,5-dimethylphenyl)-2-methylpropanenitrile
Molecular Formula	C12H15N

alpha-Isopropylbenzylamine Hydrochloride, TRC

CAS: 24290-47-9 Molecular Formula: C10H15N•HCl Molecular Weight (g/mol): 149.233646 Synonym: (2-Methyl-1-phenylpropyl)amine Hydrochloride,α-(1-Methylethyl)Benzenemethanamine Hydrochloride,α-Isopropylbenzylamine Hydrochloride,α-Isopropyl-benzylamine Hydrochloride; IUPAC Name: 2-methyl-1-phenylpropan-1-amine;hydrochloride SMILES: CC(C)C(C1=CC=CC=C1)N.Cl

Pricing and Availability
Specifications

CAS	24290-47-9
Molecular Weight (g/mol)	149.233646
SMILES	CC(C)C(C1=CC=CC=C1)N.Cl
Synonym	(2-Methyl-1-phenylpropyl)amine Hydrochloride,α-(1-Methylethyl)Benzenemethanamine Hydrochloride,α-Isopropylbenzylamine Hydrochloride,α-Isopropyl-benzylamine Hydrochloride;
IUPAC Name	2-methyl-1-phenylpropan-1-amine;hydrochloride
Molecular Formula	C10H15N•HCl

rac Alpha-Hydroxy Ibuprofen, TRC

CAS: 60057-62-7 Molecular Weight (g/mol): 222.28 IUPAC Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)C(C)(O)C(=O)O

Pricing and Availability
Specifications

CAS	60057-62-7
Molecular Weight (g/mol)	222.28
SMILES	CC(C)Cc1ccc(cc1)C(C)(O)C(=O)O
IUPAC Name	2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid

D,L-erythro-4'-Methyl-alpha-(1-isopropylaminoethyl) Benzyl Alcohol Hydrochloride, TRC

CAS: 13549-69-4 Molecular Formula: C13 H21 N O . Cl H Molecular Weight (g/mol): 243.77 IUPAC Name: (1S,2S)-1-(4-methylphenyl)-2-(propan-2-ylamino)propan-1-ol;hydrochloride SMILES: Cl.CC(C)N[C@@H](C)[C@@H](O)c1ccc(C)cc1

Pricing and Availability
Specifications

CAS	13549-69-4
Molecular Weight (g/mol)	243.77
SMILES	Cl.CC(C)N[C@@H](C)[C@@H](O)c1ccc(C)cc1
IUPAC Name	(1S,2S)-1-(4-methylphenyl)-2-(propan-2-ylamino)propan-1-ol;hydrochloride
Molecular Formula	C13 H21 N O . Cl H

4-tert-Butylphenol, 99%

CAS: 98-54-4 Molecular Formula: C10H14O MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol

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Specifications

PubChem CID	7393
CAS	98-54-4
ChEBI	CHEBI:34444
MDL Number	MFCD00002367
Synonym	4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol
IUPAC Name	4-tert-butylphenol
InChI Key	QHPQWRBYOIRBIT-UHFFFAOYSA-N
Molecular Formula	C10H14O

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

2-Phenyl-2-propanol, 99%

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

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Specifications

PubChem CID	12053
CAS	617-94-7
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004456
SMILES	CC(C)(O)C1=CC=CC=C1
Synonym	2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name	2-phenylpropan-2-ol
InChI Key	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula	C9H12O

1,4-Bis(2-hydroxyisopropyl)benzene, 97%

CAS: 2948-46-1 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD00009827 InChI Key: LEARFTRDZQQTDN-UHFFFAOYSA-N Synonym: 1,4-bis 2-hydroxy-2-propyl benzene,1,4-bis 1-methyl-1-hydroxyethyl benzene,alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol,unii-g785drb5xh,p-bis 2-hydroxyisopropyl benzene,1,4-bis 2-hydroxyisopropyl benzene,p-bis alpha-hydroxyisopropyl benzene,g785drb5xh,alpha,alpha'-dihydroxy-p-diisopropylbenzene,alpha,alpha,alpha',alpha'-tetramethyl-p-xylylenediol PubChem CID: 18062 IUPAC Name: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)O)O

Pricing and Availability
Specifications

PubChem CID	18062
CAS	2948-46-1
Molecular Weight (g/mol)	194.274
MDL Number	MFCD00009827
SMILES	CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
Synonym	1,4-bis 2-hydroxy-2-propyl benzene,1,4-bis 1-methyl-1-hydroxyethyl benzene,alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol,unii-g785drb5xh,p-bis 2-hydroxyisopropyl benzene,1,4-bis 2-hydroxyisopropyl benzene,p-bis alpha-hydroxyisopropyl benzene,g785drb5xh,alpha,alpha'-dihydroxy-p-diisopropylbenzene,alpha,alpha,alpha',alpha'-tetramethyl-p-xylylenediol
IUPAC Name	2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
InChI Key	LEARFTRDZQQTDN-UHFFFAOYSA-N
Molecular Formula	C12H18O2

(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

Pricing and Availability
Specifications

PubChem CID	7012
CAS	90-27-7
Molecular Weight (g/mol)	164.204
ChEBI	CHEBI:86545
MDL Number	MFCD00002667
SMILES	CCC(C1=CC=CC=C1)C(=O)O
Synonym	2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name	2-phenylbutanoic acid
InChI Key	OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula	C10H12O2

2,3-Dimethyl-2,3-diphenylbutane, 95%

CAS: 1889-67-4 Molecular Formula: C₁₈H₂₂ Molecular Weight (g/mol): 238.37 MDL Number: MFCD00053713 InChI Key: HGTUJZTUQFXBIH-UHFFFAOYSA-N Synonym: 2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene PubChem CID: 74681 IUPAC Name: (2,3-dimethyl-3-phenylbutan-2-yl)benzene SMILES: CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2

Pricing and Availability
Specifications

PubChem CID	74681
CAS	1889-67-4
Molecular Weight (g/mol)	238.37
MDL Number	MFCD00053713
SMILES	CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2
Synonym	2,3-dimethyl-2,3-diphenylbutane,dicumene,2,3-dimethylbutane-2,3-diyl dibenzene,dicumyl,butane, 2,3-dimethyl-2,3-diphenyl,benzene, 1,1'-1,1,2,2-tetramethyl-1,2-ethanediyl bis,.alpha.,.alpha.'-dicumyl,2,3-dimethyl-3-phenylbutan-2-yl benzene,bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl,1,1,2-trimethyl-2-phenylpropyl benzene
IUPAC Name	(2,3-dimethyl-3-phenylbutan-2-yl)benzene
InChI Key	HGTUJZTUQFXBIH-UHFFFAOYSA-N
Molecular Formula	C₁₈H₂₂

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