mono-tert-Butyl malonate, 95%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
11985021	Thermo Scientific Acros 438830010	1 g	Glass bottle
11354142	Thermo Scientific Acros 438830100	10 g	Glass bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 40052-13-9
• Molecular Weight (g/mol): 160.17
• Synonym: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester
• IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

• Molecular Formula: C₇H₁₂O₄
• InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N
• PubChem CID: 545853
• SMILES: CC(C)(C)OC(=O)CC(=O)O

Specifications

• CAS: 40052-13-9
• CAS Max %: 100.0
• Color: Colorless
• Infrared Spectrum: Authentic
• Molecular Formula: C₇H₁₂O₄
• InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N
• IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
• PubChem CID: 545853
• Percent Purity: 95%
• Chemical Name or Material: mono-tert-Butyl malonate

• CAS Min %: 94.0
• Melting Point: 19°C to 20°C
• Boiling Point: 90°C (2.0 mmHg)
• Assay Percent Range: 95%
• Synonym: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester
• SMILES: CC(C)(C)OC(=O)CC(=O)O
• Molecular Weight (g/mol): 160.17
• Formula Weight: 160.17
• Physical Form: Liquid

Safety and Handling

GHS H Statement
Causes severe skin burns and eye damage.
Fatal if inhaled.

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.

GHS Signal Word: Danger

Product Identifier

• mono-tert-Butyl malonate

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H312-Harmful in contact with skin.
• H332-Harmful if inhaled.
• H302-Harmful if swallowed.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P332+P313-If skin irritation occurs: Get medical advice/attention.
• P337+P313-If eye irritation persists: Get medical advice/attention.

RUO – Research Use Only