3-Ethynylbenzaldehyde
[CAS# 77123-56-9]

Identification

• Name: 3-Ethynylbenzaldehyde
• Molecular Formula: C₉H₆O
• Molecular Weight: 130.14
• CAS Registry Number: 77123-56-9
• EC Number: 663-358-2
• SMILES: C#CC1=CC=CC(=C1)C=O

Properties

• Solubility: 1882 mg/L (25 ºC water)
• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.554, Calc.^*
• Melting point: 32.55 ºC
• Boiling Point: 227.48 ºC, 229.2±23.0 ºC (760 mmHg), Calc.^*
• Flash Point: 90.1±17.6 ºC, Calc.^*

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

Safety Data

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

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Eye irritation	Eye Irrit.	2	H319
Skin sensitization	Skin Sens.	1	H317
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H312