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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-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

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
2
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Butylated Hydroxytoluene, 99.5%, MP Biomedicals™

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 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

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.356
ChEBI CHEBI:34247
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
3

4-tert-Butylbenzeneboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

PubChem CID 2734320
CAS 123324-71-0
Molecular Weight (g/mol) 178.04
MDL Number MFCD01009697
SMILES CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name (4-tert-butylphenyl)boronic acid
InChI Key MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula C10H15BO2
4

alpha,alpha-Dimethylphenylacetic acid

CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1

PubChem CID 13222
CAS 826-55-1
Molecular Weight (g/mol) 164.20
MDL Number MFCD00014332
SMILES CC(C)(C(O)=O)C1=CC=CC=C1
Synonym 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl
IUPAC Name 2-methyl-2-phenylpropanoic acid
InChI Key YYEROYLAYAVZNW-UHFFFAOYSA-N
Molecular Formula C10H12O2
5
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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

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
6

1,3-Dioxolane, 99.5+%, pure, stabilized

CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003207 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech 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

PubChem CID 31404
CAS 646-06-0
Molecular Weight (g/mol) 74.08
ChEBI CHEBI:34247
MDL Number MFCD00003207
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key WNXJIVFYUVYPPR-UHFFFAOYSA-N
Molecular Formula C3H6O2
7

Linear alkylbenzenesulfonic acid, 97%

CAS: 68584-22-5 Molecular Formula: C18H30O3S Molecular Weight (g/mol): 326.495 MDL Number: MFCD00147445 InChI Key: QJRVOJKLQNSNDB-UHFFFAOYSA-N Synonym: p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid PubChem CID: 29249 IUPAC Name: 4-dodecan-3-ylbenzenesulfonic acid SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID 29249
CAS 68584-22-5
Molecular Weight (g/mol) 326.495
MDL Number MFCD00147445
SMILES CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
Synonym p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid
IUPAC Name 4-dodecan-3-ylbenzenesulfonic acid
InChI Key QJRVOJKLQNSNDB-UHFFFAOYSA-N
Molecular Formula C18H30O3S
8
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2,6-Di-tert-butyl-4-methylphenol, 99%

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

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
9

1,3-Dioxolane, 99.8%, anhydrous, stabilized with 75 ppm BHT, AcroSeal™

CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech 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

PubChem CID 31404
CAS 646-06-0
Molecular Weight (g/mol) 74.08
ChEBI CHEBI:34247
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key WNXJIVFYUVYPPR-UHFFFAOYSA-N
Molecular Formula C3H6O2
10

2-Chlorophenylacetone, 96%

CAS: 6305-95-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045175 InChI Key: LWGNDIMNCPMZOF-UHFFFAOYSA-N Synonym: 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one PubChem CID: 229355 IUPAC Name: 1-(2-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Cl

PubChem CID 229355
CAS 6305-95-9
Molecular Weight (g/mol) 168.62
MDL Number MFCD00045175
SMILES CC(=O)CC1=CC=CC=C1Cl
Synonym 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one
IUPAC Name 1-(2-chlorophenyl)propan-2-one
InChI Key LWGNDIMNCPMZOF-UHFFFAOYSA-N
Molecular Formula C9H9ClO
11

2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 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

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.356
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
12

2-Fluorophenylacetone, 98%

CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F

PubChem CID 76086
CAS 2836-82-0
Molecular Weight (g/mol) 152.168
MDL Number MFCD00000325
SMILES CC(=O)CC1=CC=CC=C1F
Synonym 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone #
IUPAC Name 1-(2-fluorophenyl)propan-2-one
InChI Key BANVZEUCJHUPOI-UHFFFAOYSA-N
Molecular Formula C9H9FO
13

2-Bromophenylacetone, 99%

CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD03410431 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

PubChem CID 2734092
CAS 21906-31-0
Molecular Weight (g/mol) 213.08
MDL Number MFCD03410431
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
14

3,4-Dimethoxyphenylacetone, 97%

CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC

PubChem CID 69896
CAS 776-99-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00008772
SMILES COC1=CC=C(CC(C)=O)C=C1OC
Synonym 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone
IUPAC Name 1-(3,4-dimethoxyphenyl)propan-2-one
InChI Key UMYZWICEDUEWIM-UHFFFAOYSA-N
Molecular Formula C11H14O3
15

(+/-)-1-Phenyl-1-propanol, 98+%

CAS: 93-54-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004564 InChI Key: DYUQAZSOFZSPHD-UHFFFAOYSA-N Synonym: 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon PubChem CID: 7147 IUPAC Name: 1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

PubChem CID 7147
CAS 93-54-9
Molecular Weight (g/mol) 136.194
MDL Number MFCD00004564
SMILES CCC(C1=CC=CC=C1)O
Synonym 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon
IUPAC Name 1-phenylpropan-1-ol
InChI Key DYUQAZSOFZSPHD-UHFFFAOYSA-N
Molecular Formula C9H12O