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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

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

Numéro MDL: MFCD00002366 Synonyme: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

Synonyme 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol
Numéro MDL MFCD00002366
2

3,5-Di(tert-butyl)-4-hydroxybenzonitrile, 97%, Thermo Scientific™

CAS: 1988-88-1 Formule moléculaire: C15H21NO Poids moléculaire (g/mol): 231.34 Numéro MDL: MFCD00156137 Clé InChI: AKXIIOLURNATOC-UHFFFAOYSA-N Synonyme: 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile CID PubChem: 137274 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

Poids moléculaire (g/mol) 231.34
Synonyme 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile
Numéro MDL MFCD00156137
CAS 1988-88-1
CID PubChem 137274
Clé InChI AKXIIOLURNATOC-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Formule moléculaire C15H21NO
3

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.

4

2-(4-tert-Butylphenyl)ethanol, 96%

CAS: 5406-86-0 Formule moléculaire: C12H18O Poids moléculaire (g/mol): 178.275 Numéro MDL: MFCD00236023 Clé InChI: NZGMMENPUKHODD-UHFFFAOYSA-N Synonyme: 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl CID PubChem: 79410 Nom IUPAC: 2-(4-tert-butylphenyl)ethanol SMILES: CC(C)(C)C1=CC=C(C=C1)CCO

Poids moléculaire (g/mol) 178.275
Synonyme 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl
Numéro MDL MFCD00236023
CAS 5406-86-0
CID PubChem 79410
Nom IUPAC 2-(4-tert-butylphenyl)ethanol
Clé InChI NZGMMENPUKHODD-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)CCO
Formule moléculaire C12H18O
5

4-Bromophenylacetone, 98%

CAS: 6186-22-7 Formule moléculaire: C24H24N2O5S Poids moléculaire (g/mol): 452.53 Numéro MDL: MFCD00210401 Clé InChI: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonyme: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone CID PubChem: 736332 Nom IUPAC: 1-(4-bromophenyl)propan-2-one SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 452.53
Synonyme 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone
Numéro MDL MFCD00210401
CAS 6186-22-7
CID PubChem 736332
Nom IUPAC 1-(4-bromophenyl)propan-2-one
Clé InChI CDUPPXGKUKTGLU-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
Formule moléculaire C24H24N2O5S
6

2-Methyl-1-phenyl-1-propanol, 98%

CAS: 611-69-8 Formule moléculaire: C10H14O Poids moléculaire (g/mol): 150.221 Numéro MDL: MFCD00065000 Clé InChI: GMDYDZMQHRTHJA-UHFFFAOYSA-N Synonyme: 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9 CID PubChem: 95626 Nom IUPAC: 2-methyl-1-phenylpropan-1-ol SMILES: CC(C)C(C1=CC=CC=C1)O

Poids moléculaire (g/mol) 150.221
Synonyme 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9
Numéro MDL MFCD00065000
CAS 611-69-8
CID PubChem 95626
Nom IUPAC 2-methyl-1-phenylpropan-1-ol
Clé InChI GMDYDZMQHRTHJA-UHFFFAOYSA-N
SMILES CC(C)C(C1=CC=CC=C1)O
Formule moléculaire C10H14O
7

1,3-Di-tert-butylbenzene, 99%

CAS: 1014-60-4 Formule moléculaire: C14H22 Poids moléculaire (g/mol): 190.33 Numéro MDL: MFCD00008830 Clé InChI: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonyme: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene CID PubChem: 136810 Nom IUPAC: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

Poids moléculaire (g/mol) 190.33
Synonyme 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene
Numéro MDL MFCD00008830
CAS 1014-60-4
CID PubChem 136810
Nom IUPAC 1,3-ditert-butylbenzene
Clé InChI ILNDSSCEZZFNGE-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
Formule moléculaire C14H22
8

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

CAS: 1625-91-8 Formule moléculaire: C20H26 Poids moléculaire (g/mol): 266.428 Numéro MDL: MFCD00008834 Clé InChI: CDKCEZNPAYWORX-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 74195 Nom IUPAC: 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

Poids moléculaire (g/mol) 266.428
Synonyme 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
Numéro MDL MFCD00008834
CAS 1625-91-8
CID PubChem 74195
Nom IUPAC 1-tert-butyl-4-(4-tert-butylphenyl)benzene
Clé InChI CDKCEZNPAYWORX-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C
Formule moléculaire C20H26
9

4-n-Propylphenylacetylene, 97%

CAS: 62452-73-7 Formule moléculaire: C11H12 Poids moléculaire (g/mol): 144.217 Numéro MDL: MFCD00173886 Clé InChI: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 2775133 Nom IUPAC: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

Poids moléculaire (g/mol) 144.217
Synonyme 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
Numéro MDL MFCD00173886
CAS 62452-73-7
CID PubChem 2775133
Nom IUPAC 1-ethynyl-4-propylbenzene
Clé InChI UVFFOABHOIMLNB-UHFFFAOYSA-N
SMILES CCCC1=CC=C(C=C1)C#C
Formule moléculaire C11H12
10

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol, 97%

CAS: 88-26-6 Formule moléculaire: C15H24O2 Poids moléculaire (g/mol): 236.355 Numéro MDL: MFCD00017254 Clé InChI: HNURKXXMYARGAY-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 6929 Nom IUPAC: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

Poids moléculaire (g/mol) 236.355
Synonyme 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
Numéro MDL MFCD00017254
CAS 88-26-6
CID PubChem 6929
Nom IUPAC 2,6-ditert-butyl-4-(hydroxymethyl)phenol
Clé InChI HNURKXXMYARGAY-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
Formule moléculaire C15H24O2
11

5-tert-Butyl-m-xylene, 98%

CAS: 98-19-1 Formule moléculaire: C12H18 Poids moléculaire (g/mol): 162.276 Numéro MDL: MFCD00008832 Clé InChI: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonyme: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl CID PubChem: 7378 Nom IUPAC: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C

Poids moléculaire (g/mol) 162.276
Synonyme 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl
Numéro MDL MFCD00008832
CAS 98-19-1
CID PubChem 7378
Nom IUPAC 1-tert-butyl-3,5-dimethylbenzene
Clé InChI FZSPYHREEHYLCB-UHFFFAOYSA-N
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C
Formule moléculaire C12H18
12

Methyl 4-tert-butylbenzoate, 98+%

CAS: 26537-19-9 Formule moléculaire: C12H16O2 Poids moléculaire (g/mol): 192.258 Numéro MDL: MFCD00008835 Clé InChI: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonyme: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester CID PubChem: 97433 Nom IUPAC: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

Poids moléculaire (g/mol) 192.258
Synonyme methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
Numéro MDL MFCD00008835
CAS 26537-19-9
CID PubChem 97433
Nom IUPAC methyl 4-tert-butylbenzoate
Clé InChI UPIJOAFHOIWPLT-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Formule moléculaire C12H16O2
13

1,4-Di-tert-butylbenzene, 98%

CAS: 1012-72-2 Formule moléculaire: C14H22 Poids moléculaire (g/mol): 190.33 Numéro MDL: MFCD00008836 Clé InChI: OOWNNCMFKFBNOF-UHFFFAOYSA-N Synonyme: 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene CID PubChem: 13895 Nom IUPAC: 1,4-ditert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C(C)(C)C

Poids moléculaire (g/mol) 190.33
Synonyme 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene
Numéro MDL MFCD00008836
CAS 1012-72-2
CID PubChem 13895
Nom IUPAC 1,4-ditert-butylbenzene
Clé InChI OOWNNCMFKFBNOF-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)C(C)(C)C
Formule moléculaire C14H22
14

4-Nitrophenylacetone, 98%

CAS: 5332-96-7 Formule moléculaire: C9H9NO3 Poids moléculaire (g/mol): 179.175 Numéro MDL: MFCD00051518 Clé InChI: GEWWCWZGHNIUBW-UHFFFAOYSA-N Synonyme: 4-nitrophenylacetone,1-4-nitrophenyl propan-2-one,2-propanone, 1-4-nitrophenyl,1-4-nitrophenyl-2-propanone,1-4-nitrophenyl acetone,p-nitrophenylazeton,p-nitrophenylacetone,pubchem18646,4-nitrophenyl acetone,acmc-1az6k CID PubChem: 219367 Nom IUPAC: 1-(4-nitrophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 179.175
Synonyme 4-nitrophenylacetone,1-4-nitrophenyl propan-2-one,2-propanone, 1-4-nitrophenyl,1-4-nitrophenyl-2-propanone,1-4-nitrophenyl acetone,p-nitrophenylazeton,p-nitrophenylacetone,pubchem18646,4-nitrophenyl acetone,acmc-1az6k
Numéro MDL MFCD00051518
CAS 5332-96-7
CID PubChem 219367
Nom IUPAC 1-(4-nitrophenyl)propan-2-one
Clé InChI GEWWCWZGHNIUBW-UHFFFAOYSA-N
SMILES CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C9H9NO3
15

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

CAS: 1199-46-8 Formule moléculaire: C10H15NO Poids moléculaire (g/mol): 165.24 Numéro MDL: MFCD00007698 Clé InChI: RPJUVNYXHUCRMG-UHFFFAOYSA-N Synonyme: 2-amino-4-tert-butyl phenol,2-amino-4-tert-butyl-phenol,2-amino-4-t-butylphenol,unii-28021lmq3d,phenol, 2-amino-4-1,1-dimethylethyl,p-tert-butyl-o-aminophenol,acmc-209a4q,4-tert-butyl-2-aminophenol,bidd:gt0022,2-azanyl-4-tert-butyl-phenol CID PubChem: 70982 Nom IUPAC: 2-amino-4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(O)C(N)=C1

Poids moléculaire (g/mol) 165.24
Synonyme 2-amino-4-tert-butyl phenol,2-amino-4-tert-butyl-phenol,2-amino-4-t-butylphenol,unii-28021lmq3d,phenol, 2-amino-4-1,1-dimethylethyl,p-tert-butyl-o-aminophenol,acmc-209a4q,4-tert-butyl-2-aminophenol,bidd:gt0022,2-azanyl-4-tert-butyl-phenol
Numéro MDL MFCD00007698
CAS 1199-46-8
CID PubChem 70982
Nom IUPAC 2-amino-4-tert-butylphenol
Clé InChI RPJUVNYXHUCRMG-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(O)C(N)=C1
Formule moléculaire C10H15NO