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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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Cumyl hydroperoxide, 80%

CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 SMILES: CC(C)(OO)C1=CC=CC=C1

EDGE
PubChem CID 6629
CAS 80-15-9
Molecular Weight (g/mol) 152.19
ChEBI CHEBI:78673
MDL Number MFCD00002129
SMILES CC(C)(OO)C1=CC=CC=C1
Synonym cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene
InChI Key YQHLDYVWEZKEOX-UHFFFAOYSA-N
Molecular Formula C9H12O2
2

2-Phenyl-2-propanol 98.0+%, TCI America™

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

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
3

2-Methyl-1-phenyl-2-propanol 98.0+%, TCI America™

CAS: 100-86-7 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00004465 InChI Key: RIWRBSMFKVOJMN-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol PubChem CID: 7531 IUPAC Name: 2-methyl-1-phenylpropan-2-ol SMILES: CC(C)(CC1=CC=CC=C1)O

PubChem CID 7531
CAS 100-86-7
Molecular Weight (g/mol) 150.221
MDL Number MFCD00004465
SMILES CC(C)(CC1=CC=CC=C1)O
Synonym 2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol
IUPAC Name 2-methyl-1-phenylpropan-2-ol
InChI Key RIWRBSMFKVOJMN-UHFFFAOYSA-N
Molecular Formula C10H14O
4

2,6-Di-tert-butyl-4-dimethylaminomethylphenol 98.0+%, TCI America™

CAS: 88-27-7 Molecular Formula: C17H29NO Molecular Weight (g/mol): 263.425 MDL Number: MFCD00026283 InChI Key: VMZVBRIIHDRYGK-UHFFFAOYSA-N Synonym: ethyl 703,2,6-di-tert-butyl-4-dimethylaminomethyl phenol,n,n-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine,agidol 3,f 1 antioxidant,ethyl antioxidant 703,2,6-di-tert-butyl-4-dimethylamino methylphenol,unii-8tk6vr2kyx,2,6-di-tert-butyl-alpha-dimethylamino-p-cresol,n-3,5-di-tert-butyl-4-hydroxybenzyl dimethylamine PubChem CID: 66609 IUPAC Name: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C

PubChem CID 66609
CAS 88-27-7
Molecular Weight (g/mol) 263.425
MDL Number MFCD00026283
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C
Synonym ethyl 703,2,6-di-tert-butyl-4-dimethylaminomethyl phenol,n,n-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine,agidol 3,f 1 antioxidant,ethyl antioxidant 703,2,6-di-tert-butyl-4-dimethylamino methylphenol,unii-8tk6vr2kyx,2,6-di-tert-butyl-alpha-dimethylamino-p-cresol,n-3,5-di-tert-butyl-4-hydroxybenzyl dimethylamine
IUPAC Name 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
InChI Key VMZVBRIIHDRYGK-UHFFFAOYSA-N
Molecular Formula C17H29NO
5
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2-Phenyl-2-propanol, 98+%

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

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
6
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4-tert-Butylbenzyl chloride, 99%

CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1

PubChem CID 88198
CAS 19692-45-6
Molecular Weight (g/mol) 182.69
MDL Number MFCD00000918
SMILES CC(C)(C)C1=CC=C(CCl)C=C1
Synonym 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene
IUPAC Name 1-tert-butyl-4-(chloromethyl)benzene
InChI Key WAXIFMGAKWIFDQ-UHFFFAOYSA-N
Molecular Formula C11H15Cl
7
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4-tert-Butylbenzyl bromide, 97%

CAS: 18880-00-7 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 MDL Number: MFCD00000180 InChI Key: QZNQSIHCDAGZIA-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide PubChem CID: 87836 IUPAC Name: 1-(bromomethyl)-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)CBr

PubChem CID 87836
CAS 18880-00-7
Molecular Weight (g/mol) 227.145
MDL Number MFCD00000180
SMILES CC(C)(C)C1=CC=C(C=C1)CBr
Synonym 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide
IUPAC Name 1-(bromomethyl)-4-tert-butylbenzene
InChI Key QZNQSIHCDAGZIA-UHFFFAOYSA-N
Molecular Formula C11H15Br
8
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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

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
9
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4-(tert-Butyl)benzylbromide, 97%

CAS: 18880-00-7 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.14 MDL Number: MFCD00000180 InChI Key: QZNQSIHCDAGZIA-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide PubChem CID: 87836 IUPAC Name: 1-(bromomethyl)-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)CBr

PubChem CID 87836
CAS 18880-00-7
Molecular Weight (g/mol) 227.14
MDL Number MFCD00000180
SMILES CC(C)(C)C1=CC=C(C=C1)CBr
Synonym 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide
IUPAC Name 1-(bromomethyl)-4-tert-butylbenzene
InChI Key QZNQSIHCDAGZIA-UHFFFAOYSA-N
Molecular Formula C11H15Br
10

Sigma Aldrich 2-Phenyl-2-propanol

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 202°C (lit.)
Linear Formula (CH3)2 C(OH)C6H5
Molecular Weight (g/mol) 136.19
Density 0.973 g/mL (at 25°C (literature))
Percent Purity 97%
CAS 617-94-7
MDL Number MFCD00004456
Refractive Index n20/D 1.5196 (literature)
Synonym alpha,alpha-Dimethylbenzyl alcohol; Dimethyl phenyl carbinol
RTECS Number DO4562000
Recommended Storage Room Temperature
Molecular Formula C9H12O
EINECS Number 210-539-5
Melting Point 28°C to 32°C (lit.)
11

Sigma Aldrich 4-tert-Butylbenzyl bromide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 93°C to 94°C (1.5 mmHg)
Percent Purity 97%
Linear Formula (CH3)3 CC6H4CH2Br
CAS 18880-00-7
Molecular Weight (g/mol) 227.14
MDL Number MFCD00000180
Refractive Index n20/D 1.545 (literature)
Synonym alpha-Bromo-4-(tert-butyl)toluene; 1-Bromomethyl-4-tert-butylbenzene
Recommended Storage Room Temperature
Molecular Formula C11H15Br
EINECS Number 242-643-1
Density 1.236 g/mL (at 25°C (literature))
Melting Point 8°C to 12°C (lit.)