3-Butynyl 4-methylbenzenesulfonate supplier

Name
3-Butynyl 4-methylbenzenesulfonate
EINECS -0
CAS No. 23418-85-1
Article Data82
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₃S
Boiling Point 351.952 °C at 760 mmHg
Molecular Weight 224.28
Flash Point 166.655 °C
Transport Information
Appearance Clear slightly yellow liquid
Safety 26-37/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Butyn-1-ol,4-methylbenzenesulfonate (9CI);3-Butyn-1-ol, p-toluenesulfonate (8CI);3-Butyn-1-ol tosylate;3-Butyn-1-yl p-toluenesulfonate;3-Butyn-1-ylp-tosylate;3-Butyn-1-yl tosylate;3-Butynyl p-toluenesulfonate;3-Butynyl tosylate;4-(Tosyloxy)-1-butyne;4-Methylbenzenesulfonic acid 3-butynyl ester;4-p-Tolylsulfonyloxy-1-butyne;NSC 116062;Toluene-4-sulfonic acid but-3-ynyl ester;
PSA 51.75000
LogP 2.80440

3-Butynyl 4-methylbenzenesulfonate Chemical Properties

Product Name: 3-Butynyl 4-methylbenzenesulfonate (CAS NO.23418-85-1)

Molecular Formula: C₁₁H₁₂O₃S
Molecular Weight: 224.28g/mol
Mol File: 23418-85-1.mol
Appearance: Clear slightly yellow liquid
Storage Temperature: Refrigerator (+4°C)
Index of Refraction: 1.535
Molar Refractivity: 58.26 cm³
Molar Volume: 187.1 cm³
Surface Tension: 43.8 dyne/cm
Density: 1.198 g/cm³
Flash Point: 166.7 °C
Enthalpy of Vaporization: 57.32 kJ/mol
Boiling Point: 352 °C at 760 mmHg
Vapour Pressure: 8.05E-05 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of 3-Butynyl 4-methylbenzenesulfonate (CAS NO.23418-85-1):
IUPAC Name: but-3-ynyl 4-methylbenzenesulfonate
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC#C
InChI: InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
InChIKey: STOASOOVVADOKH-UHFFFAOYSA-N
Product Categories: Acetylenes; Acetylenic Alcohols & Their Derivatives; Organic Building Blocks; Sulfur Compounds; Tosylates

3-Butynyl 4-methylbenzenesulfonate Safety Profile

Safety Information of 3-Butynyl 4-methylbenzenesulfonate (CAS NO.23418-85-1):
Hazard Codes: Xi Irritant ,Xn Harmful
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37/39-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

3-Butynyl 4-methylbenzenesulfonate Specification

3-Butynyl 4-methylbenzenesulfonate , its CAS NO. is 23418-85-1, the synonyms are 3-Butynyl p-toluenesulfonate ; p-Toluenesulfonic Acid 3-Butynyl Ester .

Product Name

3-Butynyl 4-methylbenzenesulfonate

3-Butynyl 4-methylbenzenesulfonate Chemical Properties

3-Butynyl 4-methylbenzenesulfonate Safety Profile

3-Butynyl 4-methylbenzenesulfonate Specification

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