CAS No.599-91-7,PROPYL P-TOLUENESULFONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	599-91-7
Name:	PROPYL P-TOLUENESULFONATE
Article Data:	33
Cas Database

Formula:	C10H14 O3 S
Molecular Weight:	214.285
Synonyms:	p-Toluenesulfonicacid, propyl ester (6CI,7CI,8CI); NSC 11005; Propyl 4-methylbenzenesulfonate;Propyl 4-toluenesulfonate; Propyl p-toluenesulfonate; Propyl tosylate; n-Propyltosylate
EINECS:	209-978-5
Density:	1.146g/cm³
Melting Point:	<-20 °C
Boiling Point:	320.8°Cat760mmHg
Flash Point:	147.8°C
Hazard Symbols:
Risk Codes:	R22;R36/37/38
PSA:	51.75000
LogP:	3.19110

Synthetic route

: 104-15-4
toluene-4-sulfonic acid

: 143885-02-3
propyloxy(diphenyl)-λ6-sulfanenitrile

A: 22731-83-5
S,S-diphenylsulphoximine

B: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In chloroform-d1 at 20℃; for 1h;	A n/a B 98%

...Expand

: 71-23-8
propan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	96%
With triethylamine In dichloromethane at 5 - 22℃; for 12.5h; Industry scale;	95%
With triethylamine In dichloromethane at 5 - 22℃; for 12.5h; Industry scale;	95%

: 71-23-8
propan-1-ol

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
Stage #1: toluene-4-sulfonic acid With potassium phosphate monohydrate; bis(trichloromethyl) carbonate In dichloromethane at 0 - 5℃; for 0.0833333h; Stage #2: With triethylamine In dichloromethane at 20℃; for 0.333333h; Stage #3: propan-1-ol With trimethylamine hydrochloride In dichloromethane at 20℃; for 0.5h;	90%

: 71-23-8
propan-1-ol

: 824-79-3
sodium 4-methylbenzenesulfinate

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With iodine; sodium methylate In acetonitrile at 20℃; for 5h; Green chemistry;	63%

: 923-99-9
tri-n-propyl phosphite

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In 1,2-dichloro-ethane; toluene for 24h; Heating;	52%
In 1,2-dichloro-ethane for 24h; Product distribution; Heating; investigate effect of solvent and reaction time;	52%

: 71-23-8
propan-1-ol

: 459-44-9
4-methylbenzenediazonium tetrafluoroborate

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; trifluoroacetic acid; copper(ll) bromide In dichloromethane at 20℃; for 12h;	41%

: 513-08-6
phosphoric acid tripropyl ester

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In toluene for 9h; Heating;	39%
In toluene for 9h; Product distribution; Heating; investigate effect of solvent and reaction time;	39%

: 71-23-8
propan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

A: 111-43-3
Dipropyl ether

B: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
at 117℃; unter Durchleiten von Luft;

...Expand

: 111-43-3
Dipropyl ether

: 26908-82-7
acetyl p-toluenesulfonate

: 599-91-7
propyl tosylate

: 1789-95-3
dipropyl propylphosphonate

: 80-48-8
methyl p-toluene sulfonate

A: 18755-43-6
propanephosphonic acid dimethyl ester

B: 18755-44-7
Methyl propyl propylphosphonate

C: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
at 130 - 140℃; for 3.5h;

...Expand

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Chemistry

IUPAC Name: Propyl 4-Methylbenzenesulfonate
Canonical SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C
InChI: InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey: JTTWNTXHFYNETH-UHFFFAOYSA-N
Molecular Weight: 214.28136 [g/mol]
Molecular Formula: C₁₀H₁₄O₃S
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 214.066365
MonoIsotopic Mass: 214.066365
Topological Polar Surface Area: 43.4
Heavy Atom Count: 14
Complexity: 245
EINECS: 209-978-5
refractive index: 1.5065-1.5085
Index of Refraction: 1.509
Molar Refractivity: 55.82 cm³
Molar Volume: 186.8 cm³
Surface Tension: 37.3 dyne/cm
Density: 1.146 g/cm³
Flash Point: 147.8 °C
Enthalpy of Vaporization: 54.01 kJ/mol
Boiling Point: 320.8 °C at 760 mmHg
Vapour Pressure: 0.000583 mmHg at 25 °C
Appearance of Propyl p-toluenesulfonate (CAS NO.599-91-7): clear light yellow liquid

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements of Propyl p-toluenesulfonate (CAS NO.599-91-7): 37/39-26
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.

Specification

Propyl p-toluenesulfonate (CAS NO.599-91-7), its Synonyms are Benzenesulfonic acid, 4-methyl-, propyl ester ; Propyl tosylate ; p-Toluenesulfonic acid, propyl ester ; Propyl toluene-4-sulphonate .