Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

1 – 15 of 168 results

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

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

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

Pricing and Availability
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

Pricing and Availability
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

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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Specifications

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

4-Nitrophenylacetone, 98%

CAS: 5332-96-7 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00051518 InChI Key: GEWWCWZGHNIUBW-UHFFFAOYSA-N Synonym: 4-nitrophenylacetone,1-4-nitrophenyl propan-2-one,2-propanone, 1-4-nitrophenyl,1-4-nitrophenyl-2-propanone,1-4-nitrophenyl acetone,p-nitrophenylazeton,p-nitrophenylacetone,pubchem18646,4-nitrophenyl acetone,acmc-1az6k PubChem CID: 219367 IUPAC Name: 1-(4-nitrophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	219367
CAS	5332-96-7
Molecular Weight (g/mol)	179.175
MDL Number	MFCD00051518
SMILES	CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	4-nitrophenylacetone,1-4-nitrophenyl propan-2-one,2-propanone, 1-4-nitrophenyl,1-4-nitrophenyl-2-propanone,1-4-nitrophenyl acetone,p-nitrophenylazeton,p-nitrophenylacetone,pubchem18646,4-nitrophenyl acetone,acmc-1az6k
IUPAC Name	1-(4-nitrophenyl)propan-2-one
InChI Key	GEWWCWZGHNIUBW-UHFFFAOYSA-N
Molecular Formula	C9H9NO3

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

5-tert-Butyl-m-xylene, 98%

CAS: 98-19-1 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008832 InChI Key: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonym: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl PubChem CID: 7378 IUPAC Name: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C

Pricing and Availability
Specifications

PubChem CID	7378
CAS	98-19-1
Molecular Weight (g/mol)	162.276
MDL Number	MFCD00008832
SMILES	CC1=CC(=CC(=C1)C(C)(C)C)C
Synonym	5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl
IUPAC Name	1-tert-butyl-3,5-dimethylbenzene
InChI Key	FZSPYHREEHYLCB-UHFFFAOYSA-N
Molecular Formula	C12H18

4-n-Propylphenol, 98%

CAS: 645-56-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002395 InChI Key: KLSLBUSXWBJMEC-UHFFFAOYSA-N Synonym: 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p PubChem CID: 12580 ChEBI: CHEBI:34434 IUPAC Name: 4-propylphenol SMILES: CCCC1=CC=C(C=C1)O

Pricing and Availability
Specifications

PubChem CID	12580
CAS	645-56-7
Molecular Weight (g/mol)	136.194
ChEBI	CHEBI:34434
MDL Number	MFCD00002395
SMILES	CCCC1=CC=C(C=C1)O
Synonym	4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p
IUPAC Name	4-propylphenol
InChI Key	KLSLBUSXWBJMEC-UHFFFAOYSA-N
Molecular Formula	C9H12O

2-Methyl-3-phenyl-1-propene, 99%

CAS: 3290-53-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00039815 InChI Key: MXTNFIYGTWARIN-UHFFFAOYSA-N Synonym: 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene PubChem CID: 18687 IUPAC Name: 2-methylprop-2-enylbenzene SMILES: CC(=C)CC1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	18687
CAS	3290-53-7
Molecular Weight (g/mol)	132.206
MDL Number	MFCD00039815
SMILES	CC(=C)CC1=CC=CC=C1
Synonym	2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene
IUPAC Name	2-methylprop-2-enylbenzene
InChI Key	MXTNFIYGTWARIN-UHFFFAOYSA-N
Molecular Formula	C10H12

Phenylpropanes

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