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 1,176 results

316

4-tert-Butylbenzenethiol 97.0+%, TCI America™

CAS: 2396-68-1 Molecular Formula: C10H14S Molecular Weight (g/mol): 166.282 MDL Number: MFCD00022067 InChI Key: GNXBFFHXJDZGEK-UHFFFAOYSA-N Synonym: 4-tert-butylthiophenol,p-tert-butylthiophenol,benzenethiol, p-tert-butyl,p-tert-butylbenzenethiol,p-t-butylthiophenol,p-tert-butylphenyl mercaptan,benzenethiol, 4-1,1-dimethylethyl,benzenethiol, p-tert-butylthio,4-tert-butyl thiophenol,4-t-butylthiophenol PubChem CID: 75454 IUPAC Name: 4-tert-butylbenzenethiol SMILES: CC(C)(C)C1=CC=C(C=C1)S

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PubChem CID	75454
CAS	2396-68-1
Molecular Weight (g/mol)	166.282
MDL Number	MFCD00022067
SMILES	CC(C)(C)C1=CC=C(C=C1)S
Synonym	4-tert-butylthiophenol,p-tert-butylthiophenol,benzenethiol, p-tert-butyl,p-tert-butylbenzenethiol,p-t-butylthiophenol,p-tert-butylphenyl mercaptan,benzenethiol, 4-1,1-dimethylethyl,benzenethiol, p-tert-butylthio,4-tert-butyl thiophenol,4-t-butylthiophenol
IUPAC Name	4-tert-butylbenzenethiol
InChI Key	GNXBFFHXJDZGEK-UHFFFAOYSA-N
Molecular Formula	C10H14S

317

4-tert-Octylresorcinol 99.0+%, TCI America™

CAS: 28122-52-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00045770 InChI Key: YQOJNENEFSZINP-UHFFFAOYSA-N Synonym: 4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl PubChem CID: 220749 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O

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PubChem CID	220749
CAS	28122-52-3
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00045770
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O
Synonym	4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol
InChI Key	YQOJNENEFSZINP-UHFFFAOYSA-N
Molecular Formula	C14H22O2

318

Diethylstilbestrol 98.0+%, TCI America™

CAS: 6898-97-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: Stilbestrol PubChem CID: 688057 IUPAC Name: 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	688057
CAS	6898-97-1
Molecular Weight (g/mol)	268.36
MDL Number	MFCD00002373
SMILES	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	Stilbestrol
IUPAC Name	4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
InChI Key	RGLYKWWBQGJZGM-ISLYRVAYSA-N
Molecular Formula	C18H20O2

319

4,6-Di-tert-butyl-m-cresol 96.0+%, TCI America™

CAS: 497-39-2 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00059208 InChI Key: WYSSJDOPILWQDC-UHFFFAOYSA-N Synonym: 2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol PubChem CID: 10346 IUPAC Name: 2,4-ditert-butyl-5-methylphenol SMILES: CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O

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Specifications

PubChem CID	10346
CAS	497-39-2
Molecular Weight (g/mol)	220.356
MDL Number	MFCD00059208
SMILES	CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
Synonym	2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol
IUPAC Name	2,4-ditert-butyl-5-methylphenol
InChI Key	WYSSJDOPILWQDC-UHFFFAOYSA-N
Molecular Formula	C15H24O

320

tert-Butylbenzene 98.0+%, TCI America™

CAS: 98-06-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00008816 InChI Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N Synonym: t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene PubChem CID: 7366 IUPAC Name: tert-butylbenzene SMILES: CC(C)(C)C1=CC=CC=C1

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PubChem CID	7366
CAS	98-06-6
Molecular Weight (g/mol)	134.222
MDL Number	MFCD00008816
SMILES	CC(C)(C)C1=CC=CC=C1
Synonym	t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene
IUPAC Name	tert-butylbenzene
InChI Key	YTZKOQUCBOVLHL-UHFFFAOYSA-N
Molecular Formula	C10H14

321

Bis(4-tert-butylphenyl)iodonium Hexafluorophosphate 98.0+%, TCI America™

CAS: 61358-25-6 Molecular Formula: C20H26F6IP Molecular Weight (g/mol): 538.30 MDL Number: MFCD06797070 InChI Key: CJLLNCQWBHTSCB-UHFFFAOYSA-N PubChem CID: 13906852 IUPAC Name: bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CC(C)(C)C1=CC=C([I+]C2=CC=C(C=C2)C(C)(C)C)C=C1

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Specifications

PubChem CID	13906852
CAS	61358-25-6
Molecular Weight (g/mol)	538.30
MDL Number	MFCD06797070
SMILES	F[P-](F)(F)(F)(F)F.CC(C)(C)C1=CC=C([I+]C2=CC=C(C=C2)C(C)(C)C)C=C1
IUPAC Name	bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide
InChI Key	CJLLNCQWBHTSCB-UHFFFAOYSA-N
Molecular Formula	C20H26F6IP

322

4-Isobutylbenzaldehyde 95.0+%, TCI America™

CAS: 40150-98-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.232 MDL Number: MFCD00075760 InChI Key: LXPWGAZYJHUWPM-UHFFFAOYSA-N PubChem CID: 577537 IUPAC Name: 4-(2-methylpropyl)benzaldehyde SMILES: CC(C)CC1=CC=C(C=C1)C=O

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PubChem CID	577537
CAS	40150-98-9
Molecular Weight (g/mol)	162.232
MDL Number	MFCD00075760
SMILES	CC(C)CC1=CC=C(C=C1)C=O
IUPAC Name	4-(2-methylpropyl)benzaldehyde
InChI Key	LXPWGAZYJHUWPM-UHFFFAOYSA-N
Molecular Formula	C11H14O

323

Diethyl Ethyl(phenyl)malonate 98.0+%, TCI America™

CAS: 76-67-5 Molecular Formula: C15H20O4 Molecular Weight (g/mol): 264.321 MDL Number: MFCD00040759 InChI Key: PKRVDBARWFJWEB-UHFFFAOYSA-N Synonym: diethyl 2-ethyl-2-phenylmalonate,diethyl ethylphenylmalonate,diethyl ethyl phenyl malonate,propanedioic acid, ethylphenyl-, diethyl ester,ethylphenylmalonic acid diethyl ester,diethyl 2-ethyl-2-phenyl-propanedioate,propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester,1,3-diethyl 2-ethyl-2-phenylpropanedioate,diethyl 2-ethyl-2-phenylpropane-1,3-dioate,malonic acid, ethylphenyl-, diethyl ester PubChem CID: 66450 IUPAC Name: diethyl 2-ethyl-2-phenylpropanedioate SMILES: CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

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PubChem CID	66450
CAS	76-67-5
Molecular Weight (g/mol)	264.321
MDL Number	MFCD00040759
SMILES	CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC
Synonym	diethyl 2-ethyl-2-phenylmalonate,diethyl ethylphenylmalonate,diethyl ethyl phenyl malonate,propanedioic acid, ethylphenyl-, diethyl ester,ethylphenylmalonic acid diethyl ester,diethyl 2-ethyl-2-phenyl-propanedioate,propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester,1,3-diethyl 2-ethyl-2-phenylpropanedioate,diethyl 2-ethyl-2-phenylpropane-1,3-dioate,malonic acid, ethylphenyl-, diethyl ester
IUPAC Name	diethyl 2-ethyl-2-phenylpropanedioate
InChI Key	PKRVDBARWFJWEB-UHFFFAOYSA-N
Molecular Formula	C15H20O4

324

2-Bromophenylacetone 98.0+%, TCI America™

CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br

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PubChem CID	2734092
CAS	21906-31-0
Molecular Weight (g/mol)	213.074
SMILES	CC(=O)CC1=CC=CC=C1Br
Synonym	2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388
IUPAC Name	1-(2-bromophenyl)propan-2-one
InChI Key	TZIAZLUAMDLDJF-UHFFFAOYSA-N
Molecular Formula	C9H9BrO

325

1-Bromo-4-propylbenzene 97.0+%, TCI America™

CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br

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PubChem CID	136374
CAS	588-93-2
Molecular Weight (g/mol)	199.091
MDL Number	MFCD00012456
SMILES	CCCC1=CC=C(C=C1)Br
Synonym	1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762
IUPAC Name	1-bromo-4-propylbenzene
InChI Key	NUPWGLKBGVNSJX-UHFFFAOYSA-N
Molecular Formula	C9H11Br

326

2-(4-Ethoxyphenyl)-2-methylpropanol 98.0+%, TCI America™

CAS: 83493-63-4 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD07787279 InChI Key: OZEZBKUHAGFQME-UHFFFAOYSA-N PubChem CID: 158525 ChEBI: CHEBI:39350 IUPAC Name: 2-(4-ethoxyphenyl)-2-methylpropan-1-ol SMILES: CCOC1=CC=C(C=C1)C(C)(C)CO

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Specifications

PubChem CID	158525
CAS	83493-63-4
Molecular Weight (g/mol)	194.27
ChEBI	CHEBI:39350
MDL Number	MFCD07787279
SMILES	CCOC1=CC=C(C=C1)C(C)(C)CO
IUPAC Name	2-(4-ethoxyphenyl)-2-methylpropan-1-ol
InChI Key	OZEZBKUHAGFQME-UHFFFAOYSA-N
Molecular Formula	C12H18O2

327

1-Phenyl-1,2-propanedione 97.0+%, TCI America™

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	11363
CAS	579-07-7
Molecular Weight (g/mol)	148.16
ChEBI	CHEBI:63552
MDL Number	MFCD00008755
SMILES	CC(=O)C(=O)C1=CC=CC=C1
Synonym	1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name	1-phenylpropane-1,2-dione
InChI Key	BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula	C9H8O2

328

2,4-Di-tert-amylphenol 98.0+%, TCI America™

CAS: 120-95-6 Molecular Formula: C16H26O Molecular Weight (g/mol): 234.38 MDL Number: MFCD00041929 InChI Key: WMVJWKURWRGJCI-UHFFFAOYSA-N Synonym: 2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h PubChem CID: 8455 IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC

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PubChem CID	8455
CAS	120-95-6
Molecular Weight (g/mol)	234.38
MDL Number	MFCD00041929
SMILES	CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC
Synonym	2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h
IUPAC Name	2,4-bis(2-methylbutan-2-yl)phenol
InChI Key	WMVJWKURWRGJCI-UHFFFAOYSA-N
Molecular Formula	C16H26O

329

1,3-Di-tert-butylbenzene 98.0+%, TCI America™

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-di-tert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

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Specifications

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-di-tert-butylbenzene
InChI Key	ILNDSSCEZZFNGE-UHFFFAOYSA-N
Molecular Formula	C14H22

330

3,5-Di-tert-butylbenzoic Acid 98.0+%, TCI America™

CAS: 16225-26-6 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00082727 InChI Key: NCTSLPBQVXUAHR-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n PubChem CID: 85339 IUPAC Name: 3,5-ditert-butylbenzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C

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Specifications

PubChem CID	85339
CAS	16225-26-6
Molecular Weight (g/mol)	234.339
MDL Number	MFCD00082727
SMILES	CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
Synonym	3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n
IUPAC Name	3,5-ditert-butylbenzoic acid
InChI Key	NCTSLPBQVXUAHR-UHFFFAOYSA-N
Molecular Formula	C15H22O2

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