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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

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

CAS: 588-93-2 Formule moléculaire: C9H11Br Poids moléculaire (g/mol): 199.091 Numéro MDL: MFCD00012456 Clé InChI: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 136374 Nom IUPAC: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br

Poids moléculaire (g/mol) 199.091
Synonyme 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
Numéro MDL MFCD00012456
CAS 588-93-2
CID PubChem 136374
Nom IUPAC 1-bromo-4-propylbenzene
Clé InChI NUPWGLKBGVNSJX-UHFFFAOYSA-N
SMILES CCCC1=CC=C(C=C1)Br
Formule moléculaire C9H11Br
2

2-(4-Bromophenyl)-2-propanol, 97%

CAS: 2077-19-2 Formule moléculaire: C9H11BrO Poids moléculaire (g/mol): 215.09 Numéro MDL: MFCD11870096 Clé InChI: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonyme: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol CID PubChem: 12681920 Nom IUPAC: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1

Poids moléculaire (g/mol) 215.09
Synonyme 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol
Numéro MDL MFCD11870096
CAS 2077-19-2
CID PubChem 12681920
Nom IUPAC 2-(4-bromophenyl)propan-2-ol
Clé InChI AOGYBHJTXLXRSM-UHFFFAOYSA-N
SMILES CC(C)(O)C1=CC=C(Br)C=C1
Formule moléculaire C9H11BrO
3

3,5-Di-tert-butyltoluene, 98+%, Thermo Scientific Chemicals

CAS: 15181-11-0 Formule moléculaire: C15H24 Poids moléculaire (g/mol): 204.357 Numéro MDL: MFCD00026300 Clé InChI: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonyme: 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene CID PubChem: 84819 Nom IUPAC: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Poids moléculaire (g/mol) 204.357
Synonyme 3,5-di-tert-butyltoluene,1,3-di-tert-butyl-5-methylbenzene,toluene, 3,5-di-tert-butyl,3,5-bis tert-butyl toluene,benzene, 1,3-bis 1,1-dimethylethyl-5-methyl,3,5-di-t-butyltoluene,3,5-bis t-butyl-1-methylbenzene,3,5-di-tert-butyl-1-methylbenzene,1,3-bis tert-butyl-5-methylbenzene
Numéro MDL MFCD00026300
CAS 15181-11-0
CID PubChem 84819
Nom IUPAC 1,3-ditert-butyl-5-methylbenzene
Clé InChI WIXDSJRJFDWTNY-UHFFFAOYSA-N
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Formule moléculaire C15H24
4

3,5-Di-tert-butylbenzoic acid, 99%

CAS: 16225-26-6 Formule moléculaire: C15H22O2 Poids moléculaire (g/mol): 234.34 Clé InChI: NCTSLPBQVXUAHR-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 85339 Nom IUPAC: 3,5-ditert-butylbenzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C

Poids moléculaire (g/mol) 234.34
Synonyme 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
CAS 16225-26-6
CID PubChem 85339
Nom IUPAC 3,5-ditert-butylbenzoic acid
Clé InChI NCTSLPBQVXUAHR-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
Formule moléculaire C15H22O2
5

1-Phenyl-1,2-propanedione-2-oxime, 99%

CAS: 119-51-7 Formule moléculaire: C9H9NO2 Poids moléculaire (g/mol): 163.18 Numéro MDL: MFCD00002115 Clé InChI: YPINLRNGSGGJJT-JXMROGBWSA-N Synonyme: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone CID PubChem: 9566063 Nom IUPAC: (2E)-2-hydroxyimino-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 163.18
Synonyme 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone
Numéro MDL MFCD00002115
CAS 119-51-7
CID PubChem 9566063
Nom IUPAC (2E)-2-hydroxyimino-1-phenylpropan-1-one
Clé InChI YPINLRNGSGGJJT-JXMROGBWSA-N
SMILES C\C(=N/O)C(=O)C1=CC=CC=C1
Formule moléculaire C9H9NO2
6

tert-Pentylbenzene, 97%

CAS: 2049-95-8 Formule moléculaire: C11H16 Poids moléculaire (g/mol): 148.249 Numéro MDL: MFCD00015187 Clé InChI: QHTJSSMHBLGUHV-UHFFFAOYSA-N Synonyme: tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene CID PubChem: 16295 Nom IUPAC: 2-methylbutan-2-ylbenzene SMILES: CCC(C)(C)C1=CC=CC=C1

Poids moléculaire (g/mol) 148.249
Synonyme tert-amylbenzene,tert-pentylbenzene,2-methyl-2-phenylbutane,1,1-dimethylpropyl benzene,benzene, 1,1-dimethylpropyl,benzene, tert-pentyl,2-phenyl-2-methylbutane,t-amylbenzene,2-methylbutan-2-yl benzene,tert-amyl benzene
Numéro MDL MFCD00015187
CAS 2049-95-8
CID PubChem 16295
Nom IUPAC 2-methylbutan-2-ylbenzene
Clé InChI QHTJSSMHBLGUHV-UHFFFAOYSA-N
SMILES CCC(C)(C)C1=CC=CC=C1
Formule moléculaire C11H16
7

3-Chlorophenylacetone, 94%

CAS: 14123-60-5 Formule moléculaire: C9H9ClO Poids moléculaire (g/mol): 168.62 Numéro MDL: MFCD00082872 Clé InChI: VCNYPJMEQHTAHS-UHFFFAOYSA-N CID PubChem: 2734097 Nom IUPAC: 1-(3-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC(Cl)=C1

Poids moléculaire (g/mol) 168.62
Numéro MDL MFCD00082872
CAS 14123-60-5
CID PubChem 2734097
Nom IUPAC 1-(3-chlorophenyl)propan-2-one
Clé InChI VCNYPJMEQHTAHS-UHFFFAOYSA-N
SMILES CC(=O)CC1=CC=CC(Cl)=C1
Formule moléculaire C9H9ClO
8

4-Chloro-alpha,alpha-dimethylphenylacetic acid, 98%

CAS: 6258-30-6 Formule moléculaire: C10H11ClO2 Poids moléculaire (g/mol): 198.646 Numéro MDL: MFCD00044814 Clé InChI: SSFDAZXGUKDEAH-UHFFFAOYSA-N Synonyme: 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid CID PubChem: 80406 Nom IUPAC: 2-(4-chlorophenyl)-2-methylpropanoic acid SMILES: CC(C)(C1=CC=C(C=C1)Cl)C(=O)O

Poids moléculaire (g/mol) 198.646
Synonyme 2-4-chlorophenyl-2-methylpropanoic acid,2-4-chlorophenyl-2-methylpropionic acid,4-chloro-alpha,alpha-dimethylphenylacetic acid,2-p-chlorophenyl-2-methylpropionic acid,4-chloro-.alpha.,.alpha.-dimethylphenylacetic acid,acmc-1bhp2,p-chlorophenylisobutyric acid,2-methyl-2-4-chlorophenyl propanoic acid,4-chloro-a,a-dimethylphenylacetic acid,2-4-chloro phenyl-2-methylpropanoic acid
Numéro MDL MFCD00044814
CAS 6258-30-6
CID PubChem 80406
Nom IUPAC 2-(4-chlorophenyl)-2-methylpropanoic acid
Clé InChI SSFDAZXGUKDEAH-UHFFFAOYSA-N
SMILES CC(C)(C1=CC=C(C=C1)Cl)C(=O)O
Formule moléculaire C10H11ClO2
9

4-chlorophenylacetone, 98%

CAS: 5586-88-9 Formule moléculaire: C9H9ClO Poids moléculaire (g/mol): 168.62 Numéro MDL: MFCD00045214 Clé InChI: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 79699 Nom IUPAC: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1

Poids moléculaire (g/mol) 168.62
Synonyme 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
Numéro MDL MFCD00045214
CAS 5586-88-9
CID PubChem 79699
Nom IUPAC 1-(4-chlorophenyl)propan-2-one
Clé InChI WEJRYKSUUFKMBC-UHFFFAOYSA-N
SMILES CC(=O)CC1=CC=C(Cl)C=C1
Formule moléculaire C9H9ClO
10

2-Phenyl-2-propanol, 99%

CAS: 617-94-7 Formule moléculaire: C9H12O Poids moléculaire (g/mol): 136.19 Numéro MDL: MFCD00004456 Clé InChI: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 12053 Nom IUPAC: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

Poids moléculaire (g/mol) 136.19
Synonyme 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
Numéro MDL MFCD00004456
CAS 617-94-7
CID PubChem 12053
Nom IUPAC 2-phenylpropan-2-ol
Clé InChI BDCFWIDZNLCTMF-UHFFFAOYSA-N
SMILES CC(C)(O)C1=CC=CC=C1
Formule moléculaire C9H12O
11

2-Bromo-4,6-di-tert-butylphenol, 97%

CAS: 20834-61-1 Formule moléculaire: C14H21BrO Poids moléculaire (g/mol): 285.225 Numéro MDL: MFCD00051597 Clé InChI: DIWZVAHZEOFSLS-UHFFFAOYSA-N Synonyme: 2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol CID PubChem: 519822 Nom IUPAC: 2-bromo-4,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C

Poids moléculaire (g/mol) 285.225
Synonyme 2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol
Numéro MDL MFCD00051597
CAS 20834-61-1
CID PubChem 519822
Nom IUPAC 2-bromo-4,6-ditert-butylphenol
Clé InChI DIWZVAHZEOFSLS-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C
Formule moléculaire C14H21BrO
12

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

CAS: 93-54-9 Formule moléculaire: C9H12O Poids moléculaire (g/mol): 136.194 Numéro MDL: MFCD00004564 Clé InChI: DYUQAZSOFZSPHD-UHFFFAOYSA-N Synonyme: 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon CID PubChem: 7147 Nom IUPAC: 1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

Poids moléculaire (g/mol) 136.194
Synonyme 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon
Numéro MDL MFCD00004564
CAS 93-54-9
CID PubChem 7147
Nom IUPAC 1-phenylpropan-1-ol
Clé InChI DYUQAZSOFZSPHD-UHFFFAOYSA-N
SMILES CCC(C1=CC=CC=C1)O
Formule moléculaire C9H12O
13

alpha,alpha-Dimethylphenylacetic acid

CAS: 826-55-1 Formule moléculaire: C10H12O2 Poids moléculaire (g/mol): 164.20 Numéro MDL: MFCD00014332 Clé InChI: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 13222 Nom IUPAC: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 164.20
Synonyme 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
Numéro MDL MFCD00014332
CAS 826-55-1
CID PubChem 13222
Nom IUPAC 2-methyl-2-phenylpropanoic acid
Clé InChI YYEROYLAYAVZNW-UHFFFAOYSA-N
SMILES CC(C)(C(O)=O)C1=CC=CC=C1
Formule moléculaire C10H12O2
14

2,4-Di-tert-butylphenol, 97%

CAS: 96-76-4 Formule moléculaire: C14H22O Poids moléculaire (g/mol): 206.329 Numéro MDL: MFCD00008828 Clé InChI: ICKWICRCANNIBI-UHFFFAOYSA-N Synonyme: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt CID PubChem: 7311 Nom IUPAC: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

Poids moléculaire (g/mol) 206.329
Synonyme 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt
Numéro MDL MFCD00008828
CAS 96-76-4
CID PubChem 7311
Nom IUPAC 2,4-ditert-butylphenol
Clé InChI ICKWICRCANNIBI-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
Formule moléculaire C14H22O
15

2,6-Di-tert-butylphenol, 99%

CAS: 128-39-2 Formule moléculaire: C14H22O Poids moléculaire (g/mol): 206.33 Numéro MDL: MFCD00008820 Clé InChI: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonyme: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 CID PubChem: 31405 Nom IUPAC: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C

Poids moléculaire (g/mol) 206.33
Synonyme 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701
Numéro MDL MFCD00008820
CAS 128-39-2
CID PubChem 31405
Nom IUPAC 2,6-ditert-butylphenol
Clé InChI DKCPKDPYUFEZCP-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Formule moléculaire C14H22O