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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256 – 270 of 1,156 results

256

Methyl 3,5-Di-tert-butylbenzoate 98.0+%, TCI America™

CAS: 64277-87-8 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.37 MDL Number: MFCD03844786 InChI Key: ZEIOQJMJXFVPOG-UHFFFAOYSA-N Synonym: 3,5-Di-tert-butylbenzoic Acid Methyl Ester PubChem CID: 13267559 IUPAC Name: methyl 3,5-di-tert-butylbenzoate SMILES: COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

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PubChem CID	13267559
CAS	64277-87-8
Molecular Weight (g/mol)	248.37
MDL Number	MFCD03844786
SMILES	COC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym	3,5-Di-tert-butylbenzoic Acid Methyl Ester
IUPAC Name	methyl 3,5-di-tert-butylbenzoate
InChI Key	ZEIOQJMJXFVPOG-UHFFFAOYSA-N
Molecular Formula	C16H24O2

257

sec-Butylbenzene 99.0+%, TCI America™

CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1

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PubChem CID	8680
CAS	135-98-8
Molecular Weight (g/mol)	134.222
ChEBI	CHEBI:35097
MDL Number	MFCD00009329
SMILES	CCC(C)C1=CC=CC=C1
Synonym	sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene
IUPAC Name	butan-2-ylbenzene
InChI Key	ZJMWRROPUADPEA-UHFFFAOYSA-N
Molecular Formula	C10H14

258

4-tert-Butylbenzoic Acid 99.0+%, TCI America™

CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O

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PubChem CID	7403
CAS	98-73-7
Molecular Weight (g/mol)	178.23
ChEBI	CHEBI:34443
MDL Number	MFCD00002563
SMILES	CC(C)(C)C1=CC=C(C=C1)C(O)=O
Synonym	4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r
IUPAC Name	4-tert-butylbenzoic acid
InChI Key	KDVYCTOWXSLNNI-UHFFFAOYSA-N
Molecular Formula	C11H14O2

259

3-tert-Butylphenol 98.0+%, TCI America™

CAS: 585-34-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002300 InChI Key: CYEKUDPFXBLGHH-UHFFFAOYSA-N Synonym: m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol PubChem CID: 11450 ChEBI: CHEBI:34348 IUPAC Name: 3-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC(O)=C1

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PubChem CID	11450
CAS	585-34-2
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:34348
MDL Number	MFCD00002300
SMILES	CC(C)(C)C1=CC=CC(O)=C1
Synonym	m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol
IUPAC Name	3-tert-butylphenol
InChI Key	CYEKUDPFXBLGHH-UHFFFAOYSA-N
Molecular Formula	C10H14O

260

6-tert-Butyl-o-cresol 99.0+%, TCI America™

CAS: 2219-82-1 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00002239 InChI Key: BKZXZGWHTRCFPX-UHFFFAOYSA-N Synonym: 2-tert-Butyl-6-methylphenol PubChem CID: 16678 IUPAC Name: 2-tert-butyl-6-methylphenol SMILES: CC1=CC=CC(=C1O)C(C)(C)C

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PubChem CID	16678
CAS	2219-82-1
Molecular Weight (g/mol)	164.25
MDL Number	MFCD00002239
SMILES	CC1=CC=CC(=C1O)C(C)(C)C
Synonym	2-tert-Butyl-6-methylphenol
IUPAC Name	2-tert-butyl-6-methylphenol
InChI Key	BKZXZGWHTRCFPX-UHFFFAOYSA-N
Molecular Formula	C11H16O

261

4-sec-Butylphenol 98.0+%, TCI America™

CAS: 99-71-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002375 InChI Key: ZUTYZAFDFLLILI-UHFFFAOYSA-N PubChem CID: 7453 ChEBI: CHEBI:34442 IUPAC Name: 4-butan-2-ylphenol SMILES: CCC(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	7453
CAS	99-71-8
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34442
MDL Number	MFCD00002375
SMILES	CCC(C)C1=CC=C(C=C1)O
IUPAC Name	4-butan-2-ylphenol
InChI Key	ZUTYZAFDFLLILI-UHFFFAOYSA-N
Molecular Formula	C10H14O

262

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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Specifications

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

263

2-tert-Butyl-p-cresol 98.0+%, TCI America™

CAS: 2409-55-4 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002381 InChI Key: IKEHOXWJQXIQAG-UHFFFAOYSA-N Synonym: 2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol PubChem CID: 17004 IUPAC Name: 2-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)C(C)(C)C

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PubChem CID	17004
CAS	2409-55-4
Molecular Weight (g/mol)	164.248
MDL Number	MFCD00002381
SMILES	CC1=CC(=C(C=C1)O)C(C)(C)C
Synonym	2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol
IUPAC Name	2-tert-butyl-4-methylphenol
InChI Key	IKEHOXWJQXIQAG-UHFFFAOYSA-N
Molecular Formula	C11H16O

264

4-tert-Butylanisole 98.0+%, TCI America™

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265

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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Specifications

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

266

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

267

alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene 98.0+%, TCI America™

CAS: 1999-85-5 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00059139 InChI Key: UGPWRRVOLLMHSC-UHFFFAOYSA-N Synonym: 1,3-Bis(alpha-hydroxyisopropyl)benzene, 2,2′C-(m-Phenylene)di-2-propanol, alpha,alpha,alpha′C,alpha′C-Tetramethyl-1,3-benzenedimethanol PubChem CID: 74816 IUPAC Name: 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol SMILES: CC(C)(O)C1=CC(=CC=C1)C(C)(C)O

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PubChem CID	74816
CAS	1999-85-5
Molecular Weight (g/mol)	194.27
MDL Number	MFCD00059139
SMILES	CC(C)(O)C1=CC(=CC=C1)C(C)(C)O
Synonym	1,3-Bis(alpha-hydroxyisopropyl)benzene, 2,2′C-(m-Phenylene)di-2-propanol, alpha,alpha,alpha′C,alpha′C-Tetramethyl-1,3-benzenedimethanol
IUPAC Name	2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
InChI Key	UGPWRRVOLLMHSC-UHFFFAOYSA-N
Molecular Formula	C12H18O2

268

(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

269

2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazole 98.0+%, TCI America™

CAS: 3864-99-1 Molecular Formula: C20H24ClN3O Molecular Weight (g/mol): 357.882 MDL Number: MFCD00059706 InChI Key: UWSMKYBKUPAEJQ-UHFFFAOYSA-N Synonym: 5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole, 2,4-Di-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol PubChem CID: 77470 IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol SMILES: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C

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PubChem CID	77470
CAS	3864-99-1
Molecular Weight (g/mol)	357.882
MDL Number	MFCD00059706
SMILES	CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
Synonym	5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole, 2,4-Di-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol
IUPAC Name	2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
InChI Key	UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Molecular Formula	C20H24ClN3O

270

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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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

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