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 336 results

4-tert-Butylcatechol, 98%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	7381
CAS	98-29-3
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00002201
SMILES	CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym	4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name	4-tert-butylbenzene-1,2-diol
InChI Key	XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O2

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

MDL Number: MFCD00002366 Synonym: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

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Specifications

MDL Number	MFCD00002366
Synonym	2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

TraceCERT™ Lilial, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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1-Phenyl-1,2-propanedione, 98%

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

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

4,4'-Isopropylidenediphenol, 97%

CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	6623
CAS	80-05-7
Molecular Weight (g/mol)	228.29
ChEBI	CHEBI:33216
MDL Number	MFCD00002366
SMILES	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian
IUPAC Name	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI Key	IISBACLAFKSPIT-UHFFFAOYSA-N
Molecular Formula	C15H16O2

2,6-Di-tert-butyl-4-methylphenol, 99.8%

CAS: 128-37-0 Molecular Formula: C₁₅H₂₄O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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Specifications

PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.35
ChEBI	CHEBI:34247
MDL Number	MFCD00011644
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C₁₅H₂₄O

1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Molecular Formula: C₁₀H₁₃Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	77595
CAS	3972-65-4
Molecular Weight (g/mol)	213.12
MDL Number	MFCD00000108
SMILES	CC(C)(C)C1=CC=C(C=C1)Br
Synonym	4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name	1-bromo-4-tert-butylbenzene
InChI Key	XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₃Br

4,4'-Di-tert-butylbiphenyl, 99+%

CAS: 1625-91-8 Molecular Formula: C₂₀H₂₆ Molecular Weight (g/mol): 266.42 MDL Number: MFCD00008834 InChI Key: CDKCEZNPAYWORX-UHFFFAOYSA-N Synonym: 4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl PubChem CID: 74195 IUPAC Name: 1-tert-butyl-4-(4-tert-butylphenyl)benzene SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C

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Specifications

PubChem CID	74195
CAS	1625-91-8
Molecular Weight (g/mol)	266.42
MDL Number	MFCD00008834
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C
Synonym	4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl
IUPAC Name	1-tert-butyl-4-(4-tert-butylphenyl)benzene
InChI Key	CDKCEZNPAYWORX-UHFFFAOYSA-N
Molecular Formula	C₂₀H₂₆

2-tert-Butyl-4-methylphenol, 99%

CAS: 2409-55-4 Molecular Formula: C₁₁H₁₆O Molecular Weight (g/mol): 164.25 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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Specifications

PubChem CID	17004
CAS	2409-55-4
Molecular Weight (g/mol)	164.25
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

4-tert-Butylphenol, 97%

CAS: 98-54-4 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 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 SMILES: CC(C)(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	7393
CAS	98-54-4
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:34444
MDL Number	MFCD00002367
SMILES	CC(C)(C)C1=CC=C(C=C1)O
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

4-n-Propylphenylacetylene, 97%

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2775133
CAS	62452-73-7
Molecular Weight (g/mol)	144.217
MDL Number	MFCD00173886
SMILES	CCCC1=CC=C(C=C1)C#C
Synonym	4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name	1-ethynyl-4-propylbenzene
InChI Key	UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula	C11H12

4-tert-Butylbenzonitrile, 98+%

CAS: 4210-32-6 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00075840 InChI Key: IIZURLNRIMKEDL-UHFFFAOYSA-N Synonym: 4-tert-butyl benzonitrile,4-t-butylbenzonitrile,benzonitrile, 4-1,1-dimethylethyl,4-tert-butylcyanobenzene,4-tert-butyl-benzonitrile,p-t-butylbenzonitrile,acmc-209jnk,p-tert-butylbenzonitrile,benzonitrile, p-tert-butyl,ksc219k6d PubChem CID: 77883 IUPAC Name: 4-tert-butylbenzonitrile SMILES: CC(C)(C)C1=CC=C(C=C1)C#N

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Specifications

PubChem CID	77883
CAS	4210-32-6
Molecular Weight (g/mol)	159.232
MDL Number	MFCD00075840
SMILES	CC(C)(C)C1=CC=C(C=C1)C#N
Synonym	4-tert-butyl benzonitrile,4-t-butylbenzonitrile,benzonitrile, 4-1,1-dimethylethyl,4-tert-butylcyanobenzene,4-tert-butyl-benzonitrile,p-t-butylbenzonitrile,acmc-209jnk,p-tert-butylbenzonitrile,benzonitrile, p-tert-butyl,ksc219k6d
IUPAC Name	4-tert-butylbenzonitrile
InChI Key	IIZURLNRIMKEDL-UHFFFAOYSA-N
Molecular Formula	C11H13N

4-tert-Butylphenylacetylene, 90+%

CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C

Pricing and Availability
Specifications

PubChem CID	2757302
CAS	772-38-3
Molecular Weight (g/mol)	158.244
MDL Number	MFCD00190197
SMILES	CC(C)(C)C1=CC=C(C=C1)C#C
Synonym	1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene
IUPAC Name	1-tert-butyl-4-ethynylbenzene
InChI Key	ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Molecular Formula	C12H14

1-Bromo-4-n-propylbenzene, 99%

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

Pricing and Availability
Specifications

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

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