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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BisphenolA, ≥99%, MilliporeSigma™ Supelco™

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

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

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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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

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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

sec-Butylbenzene, 99+%

CAS: 135-98-8 Formule moléculaire: C₁₀H₁₄ Poids moléculaire (g/mol): 134.22 Numéro MDL: MFCD00009329 Clé InChI: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonyme: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene CID PubChem: 8680 ChEBI: CHEBI:35097 Nom IUPAC: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1

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Poids moléculaire (g/mol)	134.22
Synonyme	sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene
Numéro MDL	MFCD00009329
CAS	135-98-8
CID PubChem	8680
ChEBI	CHEBI:35097
Nom IUPAC	butan-2-ylbenzene
Clé InChI	ZJMWRROPUADPEA-UHFFFAOYSA-N
SMILES	CCC(C)C1=CC=CC=C1
Formule moléculaire	C₁₀H₁₄

tert-Butylbenzene, 99%

CAS: 98-06-6 Formule moléculaire: C₁₀H₁₄ Poids moléculaire (g/mol): 134.22 Numéro MDL: MFCD00008816 Clé InChI: YTZKOQUCBOVLHL-UHFFFAOYSA-N Synonyme: t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene CID PubChem: 7366 Nom IUPAC: tert-butylbenzene SMILES: CC(C)(C)C1=CC=CC=C1

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Poids moléculaire (g/mol)	134.22
Synonyme	t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene
Numéro MDL	MFCD00008816
CAS	98-06-6
CID PubChem	7366
Nom IUPAC	tert-butylbenzene
Clé InChI	YTZKOQUCBOVLHL-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC=CC=C1
Formule moléculaire	C₁₀H₁₄

Benzethonium chloride, 97%

CAS: 121-54-0 Formule moléculaire: C₂₇H₄₂ClNO₂ Poids moléculaire (g/mol): 448.08 Numéro MDL: MFCD00011742 Clé InChI: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonyme: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin CID PubChem: 8478 ChEBI: CHEBI:31264 Nom IUPAC: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

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Poids moléculaire (g/mol)	448.08
Synonyme	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
Numéro MDL	MFCD00011742
CAS	121-54-0
CID PubChem	8478
ChEBI	CHEBI:31264
Nom IUPAC	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
Clé InChI	UREZNYTWGJKWBI-UHFFFAOYSA-M
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Formule moléculaire	C₂₇H₄₂ClNO₂

1,3,5-Tri-tert-butylbenzene, 97+%

CAS: 1460-02-2 Formule moléculaire: C18H30 Poids moléculaire (g/mol): 246.438 Numéro MDL: MFCD00008831 Clé InChI: GUFMBISUSZUUCB-UHFFFAOYSA-N Synonyme: 1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l CID PubChem: 15089 Nom IUPAC: 1,3,5-tritert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

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Poids moléculaire (g/mol)	246.438
Synonyme	1,3,5-tri-tert-butylbenzene,benzene, 1,3,5-tris 1,1-dimethylethyl,1,3,5-tri-t-butylbenzene,benzene, 1,3,5-tri-tert-butyl,1,3,5-tris tert-butyl benzene,pubchem13719,intermediates-zcf02115,acmc-209cw6,2,4,6-tri-tert-butylphenyl,ksc490m7l
Numéro MDL	MFCD00008831
CAS	1460-02-2
CID PubChem	15089
Nom IUPAC	1,3,5-tritert-butylbenzene
Clé InChI	GUFMBISUSZUUCB-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Formule moléculaire	C18H30

1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Formule moléculaire: C9H8O2 Poids moléculaire (g/mol): 148.16 Numéro MDL: MFCD00008755 Clé InChI: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonyme: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone CID PubChem: 11363 ChEBI: CHEBI:63552 Nom IUPAC: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

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Poids moléculaire (g/mol)	148.16
Synonyme	1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
Numéro MDL	MFCD00008755
CAS	579-07-7
CID PubChem	11363
ChEBI	CHEBI:63552
Nom IUPAC	1-phenylpropane-1,2-dione
Clé InChI	BVQVLAIMHVDZEL-UHFFFAOYSA-N
SMILES	CC(=O)C(=O)C1=CC=CC=C1
Formule moléculaire	C9H8O2

Benzethonium chloride, 97%

CAS: 121-54-0 Formule moléculaire: C27H42ClNO2 Numéro MDL: MFCD00011742 Clé InChI: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonyme: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin CID PubChem: 8478 ChEBI: CHEBI:31264

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Synonyme	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
Numéro MDL	MFCD00011742
CAS	121-54-0
CID PubChem	8478
ChEBI	CHEBI:31264
Clé InChI	UREZNYTWGJKWBI-UHFFFAOYSA-M
Formule moléculaire	C27H42ClNO2

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

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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

Cumyl hydroperoxide, 80%

CAS: 80-15-9 Formule moléculaire: C9H12O2 Poids moléculaire (g/mol): 152.19 Numéro MDL: MFCD00002129 Clé InChI: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonyme: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene CID PubChem: 6629 ChEBI: CHEBI:78673 SMILES: CC(C)(OO)C1=CC=CC=C1

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Poids moléculaire (g/mol)	152.19
Synonyme	cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene
Numéro MDL	MFCD00002129
CAS	80-15-9
CID PubChem	6629
ChEBI	CHEBI:78673
Clé InChI	YQHLDYVWEZKEOX-UHFFFAOYSA-N
SMILES	CC(C)(OO)C1=CC=CC=C1
Formule moléculaire	C9H12O2

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

CAS: 68176-57-8 Formule moléculaire: C10H16N2 Poids moléculaire (g/mol): 164.252 Numéro MDL: MFCD00052695 Clé InChI: WLOSFXSXVXTKBU-UHFFFAOYSA-N CID PubChem: 432708 Nom IUPAC: 4-tert-butylbenzene-1,2-diamine SMILES: CC(C)(C)C1=CC(=C(C=C1)N)N

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Poids moléculaire (g/mol)	164.252
Numéro MDL	MFCD00052695
CAS	68176-57-8
CID PubChem	432708
Nom IUPAC	4-tert-butylbenzene-1,2-diamine
Clé InChI	WLOSFXSXVXTKBU-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=C(C=C1)N)N
Formule moléculaire	C10H16N2

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

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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

alpha-Isopropylphenylacetic acid, 97%

CAS: 3508-94-9 Formule moléculaire: C11H14O2 Poids moléculaire (g/mol): 178.231 Numéro MDL: MFCD00021708 Clé InChI: HDLQGISFYDYWFJ-UHFFFAOYSA-N Synonyme: alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid CID PubChem: 19024 Nom IUPAC: 3-methyl-2-phenylbutanoic acid SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O

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Poids moléculaire (g/mol)	178.231
Synonyme	alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid
Numéro MDL	MFCD00021708
CAS	3508-94-9
CID PubChem	19024
Nom IUPAC	3-methyl-2-phenylbutanoic acid
Clé InChI	HDLQGISFYDYWFJ-UHFFFAOYSA-N
SMILES	CC(C)C(C1=CC=CC=C1)C(=O)O
Formule moléculaire	C11H14O2

4-tert-Butylbenzyl alcohol, 98%

CAS: 877-65-6 Formule moléculaire: C11H16O Poids moléculaire (g/mol): 164.248 Numéro MDL: MFCD00004662 Clé InChI: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonyme: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol CID PubChem: 13416 Nom IUPAC: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO

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Poids moléculaire (g/mol)	164.248
Synonyme	4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol
Numéro MDL	MFCD00004662
CAS	877-65-6
CID PubChem	13416
Nom IUPAC	(4-tert-butylphenyl)methanol
Clé InChI	FVEINXLJOJPHLH-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC=C(C=C1)CO
Formule moléculaire	C11H16O

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