4-Methyl-2,3-pentanedione

Name: 4-Methyl-2,3-pentanedione
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160155
Availability: InStock

CAS 7493-58-5C6H10O2MW 114.07 g/mol

4-Methyl-2,3-pentanedione (CAS 7493-58-5) — formula C6H10O2, molecular weight 114.07 g/mol.

Specifications

CAS Number7493-58-5

Molecular FormulaC6H10O2

Molecular Weight114.07 g/mol

Melting Point-2.40 °C. @ 760.00 mm Hg

Boiling Point116.00 to 118.00 °C. @ 760.00 mm Hg

LogP0.6

Purchase Profile

What this product is

4-Methyl-2,3-pentanedione is a chemical compound with CAS registry number 7493-58-5 and molecular formula C6H10O2 (molecular weight 114.07 g/mol).

Identification

CAS number: 7493-58-5

Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.

Also known as: 4-Methyl-2,3-pentanedione · 4-methylpentane-2,3-dione

Frequently Asked Questions

What is the CAS number of 4-Methyl-2,3-pentanedione?

The CAS registry number of 4-Methyl-2,3-pentanedione is 7493-58-5.

What is the molecular formula and molecular weight of 4-Methyl-2,3-pentanedione?

Molecular formula C6H10O2, molecular weight 114.07 g/mol.

What other names is 4-Methyl-2,3-pentanedione known by?

It is also registered under: 4-Methyl-2,3-pentanedione, 4-methylpentane-2,3-dione.

PubChem Public Data

Public-database records for 4-Methyl-2,3-pentanedione (CAS 7493-58-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H226 (100%), H317 (100%)

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

yellow oil
(in ethanol)

Reported physical properties

沸点	116.00 to 118.00 °C. @ 760.00 mm Hg
沸点	116 °C
熔点	-2.40 °C. @ 760.00 mm Hg
密度	0.941-0.950 (20 °C)
折射率	1.397-1.405

How this substance is indexed

CAS Registry Number	7493-58-5
PubChem CID	24115
分子式	C6H10O2
分子量	114.07 g/mol
IUPAC 名称	4-methylpentane-2,3-dione
InChIKey	JENYBWHRLYZSSZ-UHFFFAOYSA-N
UNII（FDA）	K372XXT72S
ChEBI 编号	CHEBI:173383
FEMA 编号	2730
JECFA 编号	411

Documented uses

Used as flavoring agent or adjuvant; [FDA]
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

Names this substance appears under

Acetyl isobutyryl; 4-Methylpentane-2,3-dione; 7493-58-5; 4-METHYL-2,3-PENTANEDIONE; 2,3-Pentanedione, 4-methyl-; FEMA No. 2730; acetylisobutyryl; UNII-K372XXT72S; Isopropylmethylglyoxal; K372XXT72S; FEMA 2730; EINECS 231-328-4; NSC-31666; DTXSID90864077; NSC 31666; 4-METHYL-2,3-PENTANEDIONE [FHFI]

Computed molecular descriptors

分子量	114.14
XLogP3	0.6
氢键供体数	0
氢键受体数	2
可旋转键数	2
精确质量	114.068079557
单同位素质量	114.068079557
拓扑极性表面积	34.1
重原子数	8
形式电荷	0

Database abstract

4-Methyl-2,3-pentanedione is identified by CAS 7493-58-5, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII K372XXT72S; ChEBI 173383; InChIKey JENYBWHRLYZSSZ-UHFFFAOYSA-N. 沸点: 116.00 to 118.00 °C. @ 760.00 mm Hg; 沸点: 116 °C; 熔点: -2.40 °C. @ 760.00 mm Hg.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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