Mesityl oxide

CAS Number: 141-79-7

Molecular Formula: C6H10O

Purity: Mesityl oxide 90% purity

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About Mesityl oxide

4-Methyl-3-penten-2-one (CAS 141-79-7) is an indispensable high-performance precursor in the API intermediates market, primarily utilized for the synthesis of Methyl Isobutyl Ketone (MIBK) and as a crucial building block in pharmaceutical development where high purity fine chemicals (Pharma/API purity 99% | General Ind...

Synonyms

mesityl oxide
MESITYL OXIDE
141-79-7
4-Methylpent-3-en-2-one
4-Methyl-3-penten-2-one

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Mesityl oxide Specifications

CAS Number

141-79-7

Molecular Formula

C6H10O

Molecular Weight

98.14 g/mol

IUPAC Name

4-methylpent-3-en-2-one

Canonical SMILES

CC(=CC(=O)C)C

InChI Key

SHOJXDKTYKFBRD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

PubChem CID

8858

EINECS Number

205-502-5

MDL Number

MFCD00008900

HSN No

29141990

CAS Number

141-79-7

Molecular Formula

C6H10O

Molecular Weight

98.14 g/mol

IUPAC Name

4-methylpent-3-en-2-one

Canonical SMILES

CC(=CC(=O)C)C

InChI Key

SHOJXDKTYKFBRD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

PubChem CID

8858

EINECS Number

205-502-5

MDL Number

MFCD00008900

HSN No

29141990

melting_point

-51 °F (USCG, 1999)

boiling_point

266 °F at 760 mmHg (USCG, 1999)

solubility

3 % (NIOSH, 2024)

density

0.853 at 68 °F (USCG, 1999) - Less dense than water; will float

logP

1.7

Molecular Weight

98.14 g/mol

Purity

Mesityl oxide 90% purity

Melting Point

-53 °C (-63 °F)

Boiling Point

129.5 °C (265.1 °F)

Freezing point

-41.5°C

Flash Point

87 °F

pKa

6676c20fb38954b972d1f477

Precise Quality

141-79-7

PSA

17.1 Å²

Average mass

98.145 g/mol

Monoisotopic mass

98.073164938 Da

Molar mass

98.14 g/mol

Vapour pressure

9 mmHg at 20 °C

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

Flam. Liq. 3 (100%) Acute Tox. 4 (100%)

Industrial Solvent

A versatile medium-boiling solvent utilized in the manufacture of nitrocellulose lacquers, vinyl resins, synthetic rubbers, and varnishes to ensure uniform distribution and optimal film formation

Chemical Intermediate

A primary precursor in the production of methyl isobutyl ketone (MIBK), methyl isobutyl carbinol (MIBC), and isophorone through catalytic hydrogenation and condensation processes

Agrochemical Intermediate

A reactive building block used in the synthesis of herbicides and fungicides to enable effective chemical modifications for crop protection

Pharmaceutical Intermediate

A functionalized unsaturated ketone employed as a starting material for the synthesis of active pharmaceutical ingredients, including vitamins and medicinal compounds like eucaine