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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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1

4-Isobutylbenzoic Acid 99.0+%, TCI America™

CAS: 38861-88-0 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00191658 InChI Key: VUBBCFWWSKOHTH-UHFFFAOYSA-N PubChem CID: 38111 IUPAC Name: 4-(2-methylpropyl)benzoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(O)=O

PubChem CID 38111
CAS 38861-88-0
Molecular Weight (g/mol) 178.23
MDL Number MFCD00191658
SMILES CC(C)CC1=CC=C(C=C1)C(O)=O
IUPAC Name 4-(2-methylpropyl)benzoic acid
InChI Key VUBBCFWWSKOHTH-UHFFFAOYSA-N
Molecular Formula C11H14O2
2

2,5-Di-tert-butylhydroquinone 98.0+%, TCI America™

CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-di-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C

PubChem CID 2374
CAS 88-58-4
Molecular Weight (g/mol) 222.33
ChEBI CHEBI:41094
MDL Number MFCD00008825
SMILES CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
Synonym 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone
IUPAC Name 2,5-di-tert-butylbenzene-1,4-diol
InChI Key JZODKRWQWUWGCD-UHFFFAOYSA-N
Molecular Formula C14H22O2
3

4-Chlorophenylacetone 97.0+%, TCI America™

CAS: 5586-88-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045214 InChI Key: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonym: 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone PubChem CID: 79699 IUPAC Name: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1

PubChem CID 79699
CAS 5586-88-9
Molecular Weight (g/mol) 168.62
MDL Number MFCD00045214
SMILES CC(=O)CC1=CC=C(Cl)C=C1
Synonym 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone
IUPAC Name 1-(4-chlorophenyl)propan-2-one
InChI Key WEJRYKSUUFKMBC-UHFFFAOYSA-N
Molecular Formula C9H9ClO
4

2,6-Di-tert-butyl-4-hydroxymethylphenol 97.0+%, TCI America™

CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

PubChem CID 6929
CAS 88-26-6
Molecular Weight (g/mol) 236.355
MDL Number MFCD00017254
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
Synonym 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol
IUPAC Name 2,6-ditert-butyl-4-(hydroxymethyl)phenol
InChI Key HNURKXXMYARGAY-UHFFFAOYSA-N
Molecular Formula C15H24O2
5

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
6

eMolecules​ AstaTech / TERT-BUTYL 4-[4-(METHOXYCARBONYL)-2-NITROPHENYL]AMINOPIPERIDINE-1-CARBOXYLATE / 0.25g / 696760087 / D87265 / 95.000 / 1037833-88-7 / MFCD11974916 / 379.413 / C18H25N3O6

AstaTech / TERT-BUTYL 4-[4-(METHOXYCARBONYL)-2-NITROPHENYL]AMINOPIPERIDINE-1-CARBOXYLATE / 0.25g / 696760087 / D87265 / 95.000 / 1037833-88-7 / MFCD11974916 / 379.413 / C18H25N3O6

ENCOMPASS_PREFERRED
7

eMolecules​ ChemScene / N-(4-Chloro-2-methylphenyl)-2-methoxybenzamide / 100mg / 633433225 / CS-0198271 / 0.000 / 449155-88-8 / MFCD01152860 / 275.730 / C15H14ClNO2

ChemScene / N-(4-Chloro-2-methylphenyl)-2-methoxybenzamide / 100mg / 633433225 / CS-0198271 / 0.000 / 449155-88-8 / MFCD01152860 / 275.730 / C15H14ClNO2

ENCOMPASS_PREFERRED
8

eMolecules​ Ambeed / trans-tert-Butyl 4-oxohexahydro-2H-pyrano[32-c]pyridine-6(7H)-carboxylate / 100mg / 687213315 / A843152 / / 2177266-88-3 / [null] / 255.314 / C13H21NO4

Ambeed / trans-tert-Butyl 4-oxohexahydro-2H-pyrano[32-c]pyridine-6(7H)-carboxylate / 100mg / 687213315 / A843152 / / 2177266-88-3 / [null] / 255.314 / C13H21NO4

ENCOMPASS_PREFERRED
9

Sigma Aldrich 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

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
Percent Purity 97%
Linear Formula HOC6H2[C(CH3)3]2 CH2OH
CAS 88-26-6
Molecular Weight (g/mol) 236.35
MDL Number MFCD00017254
RTECS Number DO0750000
Recommended Storage Room Temperature
Molecular Formula C15H24O2
EINECS Number 201-815-6
Melting Point 139°C to 141°C (lit.)