Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

1 – 15 of 336 results

4-tert-Butylcatechol, 98%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	7381
CAS	98-29-3
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00002201
SMILES	CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym	4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name	4-tert-butylbenzene-1,2-diol
InChI Key	XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O2

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

MDL Number: MFCD00002366 Synonym: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

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Specifications

MDL Number	MFCD00002366
Synonym	2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

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.

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3-n-Propylphenol, 98%

CAS: 621-27-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD01632130 InChI Key: MPWGZBWDLMDIHO-UHFFFAOYSA-N Synonym: 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci PubChem CID: 69302 IUPAC Name: 3-propylphenol SMILES: CCCC1=CC(=CC=C1)O

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Specifications

PubChem CID	69302
CAS	621-27-2
Molecular Weight (g/mol)	136.194
MDL Number	MFCD01632130
SMILES	CCCC1=CC(=CC=C1)O
Synonym	3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci
IUPAC Name	3-propylphenol
InChI Key	MPWGZBWDLMDIHO-UHFFFAOYSA-N
Molecular Formula	C9H12O

4-Nitrophenylacetone, 98%

CAS: 5332-96-7 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00051518 InChI Key: GEWWCWZGHNIUBW-UHFFFAOYSA-N Synonym: 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 PubChem CID: 219367 IUPAC Name: 1-(4-nitrophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	219367
CAS	5332-96-7
Molecular Weight (g/mol)	179.175
MDL Number	MFCD00051518
SMILES	CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	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
IUPAC Name	1-(4-nitrophenyl)propan-2-one
InChI Key	GEWWCWZGHNIUBW-UHFFFAOYSA-N
Molecular Formula	C9H9NO3

Methyl 4-tert-butylbenzoate, 98+%

CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: 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 PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	97433
CAS	26537-19-9
Molecular Weight (g/mol)	192.258
MDL Number	MFCD00008835
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym	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
IUPAC Name	methyl 4-tert-butylbenzoate
InChI Key	UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula	C12H16O2

1,4-Bis(2-hydroxyisopropyl)benzene, 97%

CAS: 2948-46-1 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD00009827 InChI Key: LEARFTRDZQQTDN-UHFFFAOYSA-N Synonym: 1,4-bis 2-hydroxy-2-propyl benzene,1,4-bis 1-methyl-1-hydroxyethyl benzene,alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol,unii-g785drb5xh,p-bis 2-hydroxyisopropyl benzene,1,4-bis 2-hydroxyisopropyl benzene,p-bis alpha-hydroxyisopropyl benzene,g785drb5xh,alpha,alpha'-dihydroxy-p-diisopropylbenzene,alpha,alpha,alpha',alpha'-tetramethyl-p-xylylenediol PubChem CID: 18062 IUPAC Name: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)O)O

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Specifications

PubChem CID	18062
CAS	2948-46-1
Molecular Weight (g/mol)	194.274
MDL Number	MFCD00009827
SMILES	CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
Synonym	1,4-bis 2-hydroxy-2-propyl benzene,1,4-bis 1-methyl-1-hydroxyethyl benzene,alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol,unii-g785drb5xh,p-bis 2-hydroxyisopropyl benzene,1,4-bis 2-hydroxyisopropyl benzene,p-bis alpha-hydroxyisopropyl benzene,g785drb5xh,alpha,alpha'-dihydroxy-p-diisopropylbenzene,alpha,alpha,alpha',alpha'-tetramethyl-p-xylylenediol
IUPAC Name	2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
InChI Key	LEARFTRDZQQTDN-UHFFFAOYSA-N
Molecular Formula	C12H18O2

4-(tert-Butyl)-o-phenylenediamine, 97%

CAS: 68176-57-8 Molecular Formula: C10H16N2 Molecular Weight (g/mol): 164.252 MDL Number: MFCD00052695 InChI Key: WLOSFXSXVXTKBU-UHFFFAOYSA-N PubChem CID: 432708 IUPAC Name: 4-tert-butylbenzene-1,2-diamine SMILES: CC(C)(C)C1=CC(=C(C=C1)N)N

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Specifications

PubChem CID	432708
CAS	68176-57-8
Molecular Weight (g/mol)	164.252
MDL Number	MFCD00052695
SMILES	CC(C)(C)C1=CC(=C(C=C1)N)N
IUPAC Name	4-tert-butylbenzene-1,2-diamine
InChI Key	WLOSFXSXVXTKBU-UHFFFAOYSA-N
Molecular Formula	C10H16N2

1-(4-Chlorophenyl)-1-methylethylamine, 97%

CAS: 17797-11-4 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD08669636 InChI Key: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propan-2-amine,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl,4-chloro-alpha,alpha-dimethylbenzylamine,2-4-chlorophenyl prop-2-ylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a, PubChem CID: 11030256 IUPAC Name: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	11030256
CAS	17797-11-4
Molecular Weight (g/mol)	169.65
MDL Number	MFCD08669636
SMILES	CC(C)(N)C1=CC=C(Cl)C=C1
Synonym	2-4-chlorophenyl propan-2-amine,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl,4-chloro-alpha,alpha-dimethylbenzylamine,2-4-chlorophenyl prop-2-ylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,
IUPAC Name	2-(4-chlorophenyl)propan-2-amine
InChI Key	JCUUNSQUTQELEZ-UHFFFAOYSA-N
Molecular Formula	C9H12ClN

2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

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Specifications

PubChem CID	33712
CAS	1074-92-6
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00059209
SMILES	CC1=CC=CC=C1C(C)(C)C
IUPAC Name	1-tert-butyl-2-methylbenzene
InChI Key	AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula	C11H16

1,3-Di-tert-butyl-2-methoxybenzene, 99%

CAS: 1516-95-6 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 MDL Number: MFCD20483412 InChI Key: OGIJRUWUWSZKAV-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole PubChem CID: 12794694 IUPAC Name: 1,3-ditert-butyl-2-methoxybenzene SMILES: COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	12794694
CAS	1516-95-6
Molecular Weight (g/mol)	220.36
MDL Number	MFCD20483412
SMILES	COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C
Synonym	1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole
IUPAC Name	1,3-ditert-butyl-2-methoxybenzene
InChI Key	OGIJRUWUWSZKAV-UHFFFAOYSA-N
Molecular Formula	C15H24O

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

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Specifications

PubChem CID	121531
CAS	1716-60-5
Molecular Weight (g/mol)	153.20
MDL Number	MFCD01708100
SMILES	CC(N)CC1=CC=CC=C1F
Synonym	2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
IUPAC Name	1-(2-fluorophenyl)propan-2-amine
InChI Key	GDSXNLDTQFFIEU-UHFFFAOYNA-N
Molecular Formula	C9H12FN

4-Isobutylbenzeneboronic acid, 98%

CAS: 153624-38-5 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.038 MDL Number: MFCD01632198 InChI Key: YZSPHVWALUJQNK-UHFFFAOYSA-N Synonym: 4-isobutylphenylboronic acid,4-isobutylbenzeneboronic acid,4-isobutylphenyl boronic acid,4-2-methylpropyl phenylboronic acid,4-2-methylpropyl phenyl boronic acid,4-2-methylpropyl phenyl boranediol,boronic acid, 4-2-methylpropyl phenyl,boronic acid,b-4-2-methylpropyl phenyl,4-iso-butylphenylboronic acid,pubchem20832 PubChem CID: 2773472 IUPAC Name: [4-(2-methylpropyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CC(C)C)(O)O

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Specifications

PubChem CID	2773472
CAS	153624-38-5
Molecular Weight (g/mol)	178.038
MDL Number	MFCD01632198
SMILES	B(C1=CC=C(C=C1)CC(C)C)(O)O
Synonym	4-isobutylphenylboronic acid,4-isobutylbenzeneboronic acid,4-isobutylphenyl boronic acid,4-2-methylpropyl phenylboronic acid,4-2-methylpropyl phenyl boronic acid,4-2-methylpropyl phenyl boranediol,boronic acid, 4-2-methylpropyl phenyl,boronic acid,b-4-2-methylpropyl phenyl,4-iso-butylphenylboronic acid,pubchem20832
IUPAC Name	[4-(2-methylpropyl)phenyl]boronic acid
InChI Key	YZSPHVWALUJQNK-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

4-(2-Cyano-2-propyl)benzeneboronic acid, 97%, Thermo Scientific™

CAS: 850568-67-1 Molecular Formula: C10H12BNO2 Molecular Weight (g/mol): 189.021 MDL Number: MFCD06659832 InChI Key: BNXBFDTWYHAEIR-UHFFFAOYSA-N Synonym: 2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl PubChem CID: 44119324 IUPAC Name: [4-(2-cyanopropan-2-yl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O

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Specifications

PubChem CID	44119324
CAS	850568-67-1
Molecular Weight (g/mol)	189.021
MDL Number	MFCD06659832
SMILES	B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O
Synonym	2-4-boronophenyl-2-methylpropanenitrile,4-2-cyanopropan-2-yl phenylboronic acid,4-1-cyano-1-methylethyl phenyl boronic acid,2-4-boronophenyl-2-methylpropionitrile,4-2-cyanopropan-2-yl benzeneboronic acid,4-2-cyanopropan-2-yl phenyl boronic acid,4-1-cyano-1-methylethyl phenylboronic acid,4-2-cyanoprop-2-yl benzeneboronic acid,boronic acid, 4-1-cyano-1-methylethyl phenyl
IUPAC Name	[4-(2-cyanopropan-2-yl)phenyl]boronic acid
InChI Key	BNXBFDTWYHAEIR-UHFFFAOYSA-N
Molecular Formula	C10H12BNO2

4-tert-Butylphenylmagnesium bromide, 0.50 M in 2-MeTHF

CAS: 63488-10-8 Molecular Formula: C10H13BrMg Molecular Weight (g/mol): 237.42 MDL Number: MFCD00013244 InChI Key: YECFWFOEQLAVNH-UHFFFAOYSA-M Synonym: 4-tert-butylphenylmagnesium bromide,grignard reagent,4-t-butylphenylmagnesium bromide,magnesium, bromo 4-1,1-dimethylethyl phenyl,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,4-tert butyl phenyl magnesium bromide PubChem CID: 4608371 IUPAC Name: magnesium;tert-butylbenzene;bromide SMILES: CC(C)(C)C1=CC=C([Mg]Br)C=C1

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Specifications

PubChem CID	4608371
CAS	63488-10-8
Molecular Weight (g/mol)	237.42
MDL Number	MFCD00013244
SMILES	CC(C)(C)C1=CC=C([Mg]Br)C=C1
Synonym	4-tert-butylphenylmagnesium bromide,grignard reagent,4-t-butylphenylmagnesium bromide,magnesium, bromo 4-1,1-dimethylethyl phenyl,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,4-tert butyl phenyl magnesium bromide
IUPAC Name	magnesium;tert-butylbenzene;bromide
InChI Key	YECFWFOEQLAVNH-UHFFFAOYSA-M
Molecular Formula	C10H13BrMg

Phenylpropanes

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