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778-28-9

778-28-9 Structure

778-28-9 Structure
IdentificationMore
[Name]

P-TOLUENESULFONIC ACID N-BUTYL ESTER
[CAS]

778-28-9
[Synonyms]

4-METHYLBENZENESULFONIC ACID, BUTYL ESTER
BUTYL P-TOLUENESULFONATE
BUTYL P-TOSYLATE
N-BUTYL P-TOLUENESULFONATE
N-BUTYLTOSYLATE
P-TOLUENESULFONIC ACID N-BUTYL ESTER
4-methyl-benzenesulfonicacibutylester
Benzenesulfonicacid,4-methyl-,butylester
Butyl 4-methylbenzenesulfonate
Butyl ester of 4-Toluenesulfonic acid
Butyl para-toluenesulfonate
Butyl p-methylbenzenesulfonate
Butyl tosylate
butyl4-methylbenzenesulfonate
Butyl4-toluenesulphonate
Butylpara-toluenesulfonate
butylp-methylbenzenesulfonate
butyltoluene-4-sulphonate
butyltosylate
p-Toluenesulfonic acid, butyl ester
[EINECS(EC#)]

212-295-5
[Molecular Formula]

C11H16O3S
[MDL Number]

MFCD00027203
[Molecular Weight]

228.31
[MOL File]

778-28-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow to brownish liquid
[Boiling point ]

170-172 °C (10 mmHg)
[density ]

1.12
[vapor pressure ]

0.031Pa at 25℃
[refractive index ]

1.503-1.505
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Sparingly)
[form ]

Liquid
[color ]

Clear light yellow to brownish
[Water Solubility ]

44.9mg/L at 20℃
[InChI]

InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
[InChIKey]

QYJXDIUNDMRLAO-UHFFFAOYSA-N
[SMILES]

C1(S(OCCCC)(=O)=O)=CC=C(C)C=C1
[LogP]

2.8 at 20℃
[CAS DataBase Reference]

778-28-9(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenesulfonic acid, 4-methyl-, butyl ester (778-28-9)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RTECS ]

XT6400000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29041000
Hazard InformationBack Directory
[Description]

Butyl p-toluenesulphonate (also known as butyl tosylate) is an important sulphonic acid ester compound, primarily used as an intermediate in organic synthesis. It can be used in the synthesis of 4-butoxyacrylonitrile. This substance is an impurity in the local anaesthetic dacronine. Furthermore, it can be used as a PTSM-type additive in the preparation of electrolyte solutions with low-temperature performance.
[Chemical Properties]

clear light yellow to brownish liquid
[Uses]

Butyl 4-Methylbenzenesulfonate is used in preparation of highly-branched chain Ammonium Dicarboxylate Salt.
[Hazard]

Butyl p-toluenesulphonate is harmful if swallowed. Contact may cause skin irritation and severe eye irritation. Inhalation may cause respiratory irritation.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)MS
P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)1HNMR
P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)13CNMR
P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Butyl p-toluenesulfonate, 99%(778-28-9)
[Sigma Aldrich]

778-28-9(sigmaaldrich)
[TCI AMERICA]

Butyl p-Toluenesulfonate,>97.0%(GC)(778-28-9)
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