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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Hexestrol, 98+%, Thermo Scientific Chemicals

CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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PubChem CID	192197
CAS	84-16-2
Molecular Weight (g/mol)	270.37
MDL Number	MFCD00068996
SMILES	CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar
InChI Key	PBBGSZCBWVPOOL-UHFFFAOYNA-N
Molecular Formula	C18H22O2

Xylometazoline Hydrochloride, Spectrum™ Chemical

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N IUPAC Name: hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride SMILES: [H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C

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CAS	1218-35-5
Molecular Weight (g/mol)	280.84
SMILES	[H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
IUPAC Name	hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride
InChI Key	YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula	C16H25ClN2

2,6-Difluorophenylacetone, 98%, Thermo Scientific Chemicals

CAS: 101712-20-3 Molecular Formula: C₉H₈F₂O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

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PubChem CID	2734927
CAS	101712-20-3
Molecular Weight (g/mol)	170.16
SMILES	CC(=O)CC1=C(C=CC=C1F)F
Synonym	1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name	1-(2,6-difluorophenyl)propan-2-one
InChI Key	LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula	C₉H₈F₂O

Cumene Hydroperoxide, 77%, Spectrum™ Chemical

CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1

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CAS	80-15-9
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00002129
SMILES	CC(C)(OO)C1=CC=CC=C1
IUPAC Name	2-phenylpropane-2-peroxol
InChI Key	YQHLDYVWEZKEOX-UHFFFAOYSA-N
Molecular Formula	C9H12O2

1,3-Dioxolane, 99%, Spectrum™ Chemical

CAS: 646-06-0

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CAS	646-06-0

BHT, Granular, FCC, 99%, Spectrum™ Chemical

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

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CAS	128-37-0
Molecular Weight (g/mol)	220.36
SMILES	CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name	2,6-di-tert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C15H24O

(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

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PubChem CID	7012
CAS	90-27-7
Molecular Weight (g/mol)	164.204
ChEBI	CHEBI:86545
MDL Number	MFCD00002667
SMILES	CCC(C1=CC=CC=C1)C(=O)O
Synonym	2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name	2-phenylbutanoic acid
InChI Key	OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula	C10H12O2

3,5-Di-tert-butylcatechol, 99%, Thermo Scientific Chemicals

CAS: 1020-31-1 Molecular Formula: C₁₄H₂₂O₂ Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

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PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₂O₂

3,5-Di-tert-butylaniline, 97%, Thermo Scientific Chemicals

CAS: 2380-36-1 Molecular Formula: C14H23N Molecular Weight (g/mol): 205.345 MDL Number: MFCD00134096 InChI Key: MJKNHXCPGXUEDO-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylaniline,3,5-di-t-butylaniline,benzenamine, 3,5-bis 1,1-dimethylethyl,acmc-1cdyp,3,5-ditert-butylphenylamine,3,5-bis tert-butyl aniline,3,5-di-tert-butylphenylamine,3,5-bis tert-butyl phenylamine,mjknhxcpgxuedo-uhfffaoysa,3,5-ditert-butyl-phenyl-amine PubChem CID: 75419 IUPAC Name: 3,5-ditert-butylaniline SMILES: CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C

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PubChem CID	75419
CAS	2380-36-1
Molecular Weight (g/mol)	205.345
MDL Number	MFCD00134096
SMILES	CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C
Synonym	3,5-di-tert-butylaniline,3,5-di-t-butylaniline,benzenamine, 3,5-bis 1,1-dimethylethyl,acmc-1cdyp,3,5-ditert-butylphenylamine,3,5-bis tert-butyl aniline,3,5-di-tert-butylphenylamine,3,5-bis tert-butyl phenylamine,mjknhxcpgxuedo-uhfffaoysa,3,5-ditert-butyl-phenyl-amine
IUPAC Name	3,5-ditert-butylaniline
InChI Key	MJKNHXCPGXUEDO-UHFFFAOYSA-N
Molecular Formula	C14H23N

Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

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CAS	121-54-0
Molecular Weight (g/mol)	448.09
SMILES	[Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
IUPAC Name	benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

4-n-Propylbenzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O

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PubChem CID	4100861
CAS	134150-01-9
Molecular Weight (g/mol)	164.01
MDL Number	MFCD00859261
SMILES	CCCC1=CC=C(C=C1)B(O)O
Synonym	4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name	(4-propylphenyl)boronic acid
InChI Key	WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula	C9H13BO2

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

CAS: 15181-11-0 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00026300 InChI Key: WIXDSJRJFDWTNY-UHFFFAOYSA-N Synonym: 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 PubChem CID: 84819 IUPAC Name: 1,3-ditert-butyl-5-methylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

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PubChem CID	84819
CAS	15181-11-0
Molecular Weight (g/mol)	204.357
MDL Number	MFCD00026300
SMILES	CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Synonym	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
IUPAC Name	1,3-ditert-butyl-5-methylbenzene
InChI Key	WIXDSJRJFDWTNY-UHFFFAOYSA-N
Molecular Formula	C15H24

Butylated Hydroxytoluene, Granular, NF, 99-101.5%, Spectrum™ Chemical

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CAS	128-37-0
Molecular Weight (g/mol)	220.36
SMILES	CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name	2,6-di-tert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C15H24O

5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals

CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O

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PubChem CID	14740579
CAS	128733-85-7
Molecular Weight (g/mol)	208.064
MDL Number	MFCD06201034
SMILES	B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
Synonym	5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl
IUPAC Name	(5-tert-butyl-2-methoxyphenyl)boronic acid
InChI Key	LXFOJKCQSAYVMF-UHFFFAOYSA-N
Molecular Formula	C11H17BO3

2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical

CAS: 52-51-7 Molecular Formula: C3H6BrNO4 Molecular Weight (g/mol): 199.99 InChI Key: LVDKZNITIUWNER-UHFFFAOYSA-N IUPAC Name: 2-bromo-2-nitropropane-1,3-diol SMILES: OCC(Br)(CO)[N+]([O-])=O

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CAS	52-51-7
Molecular Weight (g/mol)	199.99
SMILES	OCC(Br)(CO)[N+]([O-])=O
IUPAC Name	2-bromo-2-nitropropane-1,3-diol
InChI Key	LVDKZNITIUWNER-UHFFFAOYSA-N
Molecular Formula	C3H6BrNO4

Phenylpropanes

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Xylometazoline Hydrochloride, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Cumene Hydroperoxide, 77%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

1,3-Dioxolane, 99%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

BHT, Granular, FCC, 99%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Butylated Hydroxytoluene, Granular, NF, 99-101.5%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More