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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316 – 330 of 1,182 results

316

2-sec-Butylphenol 97.0+%, TCI America™

CAS: 89-72-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002225 InChI Key: NGFPWHGISWUQOI-UHFFFAOYSA-N Synonym: 2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech PubChem CID: 6984 ChEBI: CHEBI:34303 IUPAC Name: 2-butan-2-ylphenol SMILES: CCC(C)C1=CC=CC=C1O

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PubChem CID	6984
CAS	89-72-5
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34303
MDL Number	MFCD00002225
SMILES	CCC(C)C1=CC=CC=C1O
Synonym	2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech
IUPAC Name	2-butan-2-ylphenol
InChI Key	NGFPWHGISWUQOI-UHFFFAOYSA-N
Molecular Formula	C10H14O

317

2-(4-Chlorophenyl)-3-methylbutyric Acid 98.0+%, TCI America™

CAS: 2012-74-0 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.67 MDL Number: MFCD04112625,MFCD11858304,MFCD00037763 InChI Key: VTJMSIIXXKNIDJ-UHFFFAOYNA-N PubChem CID: 16197 ChEBI: CHEBI:39345 IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid SMILES: CC(C)C(C(O)=O)C1=CC=C(Cl)C=C1

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PubChem CID	16197
CAS	2012-74-0
Molecular Weight (g/mol)	212.67
ChEBI	CHEBI:39345
MDL Number	MFCD04112625,MFCD11858304,MFCD00037763
SMILES	CC(C)C(C(O)=O)C1=CC=C(Cl)C=C1
IUPAC Name	2-(4-chlorophenyl)-3-methylbutanoic acid
InChI Key	VTJMSIIXXKNIDJ-UHFFFAOYNA-N
Molecular Formula	C11H13ClO2

318

Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 96.0+%, TCI America™

CAS: 66165-37-5 Molecular Formula: C17H29O4P Molecular Weight (g/mol): 328.39 MDL Number: MFCD06797098 InChI Key: WBSRIXCTCFFHEF-UHFFFAOYNA-N Synonym: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate PubChem CID: 92274 IUPAC Name: [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid SMILES: CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

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PubChem CID	92274
CAS	66165-37-5
Molecular Weight (g/mol)	328.39
MDL Number	MFCD06797098
SMILES	CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Synonym	3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate
IUPAC Name	[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid
InChI Key	WBSRIXCTCFFHEF-UHFFFAOYNA-N
Molecular Formula	C17H29O4P

319

Isobutylbenzene 99.0+%, TCI America™

CAS: 538-93-2 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008936 InChI Key: KXUHSQYYJYAXGZ-UHFFFAOYSA-N Synonym: isobutylbenzene,benzene, 2-methylpropyl,2-methylpropyl benzene,benzene, isobutyl,1-phenyl-2-methylpropane,2-methyl-1-phenylpropane,1-phenylisobutane,2-phenyl-2-methylpropane,iso-butylbenzene,1-isobutylbenzene PubChem CID: 10870 ChEBI: CHEBI:43261 IUPAC Name: (2-methylpropyl)benzene SMILES: CC(C)CC1=CC=CC=C1

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PubChem CID	10870
CAS	538-93-2
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:43261
MDL Number	MFCD00008936
SMILES	CC(C)CC1=CC=CC=C1
Synonym	isobutylbenzene,benzene, 2-methylpropyl,2-methylpropyl benzene,benzene, isobutyl,1-phenyl-2-methylpropane,2-methyl-1-phenylpropane,1-phenylisobutane,2-phenyl-2-methylpropane,iso-butylbenzene,1-isobutylbenzene
IUPAC Name	(2-methylpropyl)benzene
InChI Key	KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Molecular Formula	C10H14

320

4-tert-Butylstyrene (stabilized with TBC) 90.0+%, TCI America™

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

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PubChem CID	15627
CAS	1746-23-2
Molecular Weight (g/mol)	160.26
MDL Number	MFCD00065126
SMILES	CC(C)(C)C1=CC=C(C=C1)C=C
Synonym	4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene
IUPAC Name	1-tert-butyl-4-ethenylbenzene
InChI Key	QEDJMOONZLUIMC-UHFFFAOYSA-N
Molecular Formula	C12H16

321

1-sec-Butyl-2-nitrobenzene 98.0+%, TCI America™

CAS: 19370-34-4 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 InChI Key: GMQQDASXGTUDPJ-UHFFFAOYSA-N PubChem CID: 86858 IUPAC Name: 1-butan-2-yl-2-nitrobenzene SMILES: CCC(C)C1=CC=CC=C1[N+](=O)[O-]

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PubChem CID	86858
CAS	19370-34-4
Molecular Weight (g/mol)	179.219
SMILES	CCC(C)C1=CC=CC=C1[N+](=O)[O-]
IUPAC Name	1-butan-2-yl-2-nitrobenzene
InChI Key	GMQQDASXGTUDPJ-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

322

2-Fluorophenylacetone 97.0+%, TCI America™

CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F

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PubChem CID	76086
CAS	2836-82-0
Molecular Weight (g/mol)	152.168
MDL Number	MFCD00000325
SMILES	CC(=O)CC1=CC=CC=C1F
Synonym	2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone #
IUPAC Name	1-(2-fluorophenyl)propan-2-one
InChI Key	BANVZEUCJHUPOI-UHFFFAOYSA-N
Molecular Formula	C9H9FO

323

1-Chloro-2-methyl-2-phenylpropane 98.0+%, TCI America™

CAS: 515-40-2 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000940 InChI Key: DNXXUUPUQXSUFH-UHFFFAOYSA-N Synonym: neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane PubChem CID: 68191 IUPAC Name: (1-chloro-2-methylpropan-2-yl)benzene SMILES: CC(C)(CCl)C1=CC=CC=C1

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PubChem CID	68191
CAS	515-40-2
Molecular Weight (g/mol)	168.66
MDL Number	MFCD00000940
SMILES	CC(C)(CCl)C1=CC=CC=C1
Synonym	neophyl chloride,1-chloro-2-methyl-2-phenylpropane,1-chloro-2-methylpropan-2-yl benzene,benzene, 2-chloro-1,1-dimethylethyl,2-methyl-2-phenylpropyl chloride,neophylchloride,2-chloro-1,1-dimethylethyl benzene,unii-of6e0410nf,beta-chloro-tert-butylbenzene,2-chloromethyl-2-phenylpropane
IUPAC Name	(1-chloro-2-methylpropan-2-yl)benzene
InChI Key	DNXXUUPUQXSUFH-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

324

Neopentylbenzene 97.0+%, TCI America™

CAS: 1007-26-7 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00038279 InChI Key: CJGXJKVMUHXVHL-UHFFFAOYSA-N Synonym: neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x PubChem CID: 13877 IUPAC Name: 2,2-dimethylpropylbenzene SMILES: CC(C)(C)CC1=CC=CC=C1

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PubChem CID	13877
CAS	1007-26-7
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00038279
SMILES	CC(C)(C)CC1=CC=CC=C1
Synonym	neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x
IUPAC Name	2,2-dimethylpropylbenzene
InChI Key	CJGXJKVMUHXVHL-UHFFFAOYSA-N
Molecular Formula	C11H16

325

2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole 98.0+%, TCI America™

CAS: 3147-76-0 Molecular Formula: C16H17N3O Molecular Weight (g/mol): 267.332 MDL Number: MFCD03844795 InChI Key: WXHVQMGINBSVAY-UHFFFAOYSA-N PubChem CID: 76605 IUPAC Name: 2-(benzotriazol-2-yl)-4-tert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

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PubChem CID	76605
CAS	3147-76-0
Molecular Weight (g/mol)	267.332
MDL Number	MFCD03844795
SMILES	CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
IUPAC Name	2-(benzotriazol-2-yl)-4-tert-butylphenol
InChI Key	WXHVQMGINBSVAY-UHFFFAOYSA-N
Molecular Formula	C16H17N3O

326

1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione 98.0+%, TCI America™

CAS: 27676-62-6 Molecular Formula: C48H69N3O6 Molecular Weight (g/mol): 784.10 MDL Number: MFCD00134700 InChI Key: VNQNXQYZMPJLQX-UHFFFAOYSA-N Synonym: Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate, Isocyanuric Acid Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Ester PubChem CID: 93115 IUPAC Name: tris[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione SMILES: CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C

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PubChem CID	93115
CAS	27676-62-6
Molecular Weight (g/mol)	784.10
MDL Number	MFCD00134700
SMILES	CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C
Synonym	Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate, Isocyanuric Acid Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Ester
IUPAC Name	tris[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
InChI Key	VNQNXQYZMPJLQX-UHFFFAOYSA-N
Molecular Formula	C48H69N3O6

327

2-Bromo-4-(tert-butyl)aniline 98.0+%, TCI America™

CAS: 103273-01-4 Molecular Formula: C10H14BrN Molecular Weight (g/mol): 228.13 MDL Number: MFCD00052693 InChI Key: OLKYFBNIFKQRIZ-UHFFFAOYSA-N PubChem CID: 238591 IUPAC Name: 2-bromo-4-tert-butylaniline SMILES: CC(C)(C)C1=CC(Br)=C(N)C=C1

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PubChem CID	238591
CAS	103273-01-4
Molecular Weight (g/mol)	228.13
MDL Number	MFCD00052693
SMILES	CC(C)(C)C1=CC(Br)=C(N)C=C1
IUPAC Name	2-bromo-4-tert-butylaniline
InChI Key	OLKYFBNIFKQRIZ-UHFFFAOYSA-N
Molecular Formula	C10H14BrN

328

3,4-Dimethoxyphenylacetone 97.0+%, TCI America™

CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC

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PubChem CID	69896
CAS	776-99-8
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008772
SMILES	COC1=CC=C(CC(C)=O)C=C1OC
Synonym	3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone
IUPAC Name	1-(3,4-dimethoxyphenyl)propan-2-one
InChI Key	UMYZWICEDUEWIM-UHFFFAOYSA-N
Molecular Formula	C11H14O3

329

alpha,alpha'-Dihydroxy-1,4-diisopropylbenzene 97.0+%, TCI America™

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

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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

330

(1S,2R)-2-(Dibutylamino)-1-phenyl-1-propanol 98.0+%, TCI America™

CAS: 114389-70-7 Molecular Formula: C17H29NO Molecular Weight (g/mol): 263.425 MDL Number: MFCD00142695 InChI Key: BRRGNOFUBFINSX-NVXWUHKLSA-N Synonym: (-)-alpha-[1-(Dibutylamino)ethyl]benzyl Alcohol, (-)-N,N-Dibutylnorephedrin PubChem CID: 11003877 IUPAC Name: (1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol SMILES: CCCCN(CCCC)C(C)C(C1=CC=CC=C1)O

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Specifications

PubChem CID	11003877
CAS	114389-70-7
Molecular Weight (g/mol)	263.425
MDL Number	MFCD00142695
SMILES	CCCCN(CCCC)C(C)C(C1=CC=CC=C1)O
Synonym	(-)-alpha-[1-(Dibutylamino)ethyl]benzyl Alcohol, (-)-N,N-Dibutylnorephedrin
IUPAC Name	(1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol
InChI Key	BRRGNOFUBFINSX-NVXWUHKLSA-N
Molecular Formula	C17H29NO

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