3-Ethynylbenzoic acid
[CAS# 10601-99-7]

Identification

• Name: 3-Ethynylbenzoic acid
• Molecular Formula: C₉H₆O₂
• Molecular Weight: 146.14
• CAS Registry Number: 10601-99-7
• EC Number: 687-350-3
• SMILES: C#CC1=CC(=CC=C1)C(=O)O

Properties

• Solubility: 1170 mg/L (25 °C water)
• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.592, Calc.^*
• Melting point: 82.10 °C
• Boiling Point: 288.19 °C, 300.2±25.0 °C (760 mmHg), Calc.^*
• Flash Point: 135.6±17.8 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H317-H319
• Safety Statements: P280-P301+P312+P330-P302+P352-P305+P351+P338

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin sensitization	Skin Sens.	1	H317
Acute toxicity	Acute Tox.	4	H302
Eye irritation	Eye Irrit.	2	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2A	H319
Skin irritation	Skin Irrit.	2	H315