2,3-Pentanedione

Name: 2,3-Pentanedione
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 32140

CAS 600-14-6C5H8O2MW 100.05 g/mol

2,3-Pentanedione (CAS 600-14-6) — formula C5H8O2, molecular weight 100.05 g/mol; category organic chemicals.

Specifications

CAS Number600-14-6

Molecular FormulaC5H8O2

Molecular Weight100.05 g/mol

Melting Point-52 °C

Boiling Point109.9 °C

LogP0.1

CategoryOrganic Chemicals

Purchase Profile

What this product is

2,3-Pentanedione is a carbon-based organic compound with CAS registry number 600-14-6 and molecular formula C5H8O2 (molecular weight 100.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 600-14-6

Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.

Also known as: 2,3-Pentanedione · ACETYL PROPIONYL, NATURAL · ACETYL PROPIONYL

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2,3-Pentanedione?

The CAS registry number of 2,3-Pentanedione is 600-14-6.

What is the molecular formula and molecular weight of 2,3-Pentanedione?

Molecular formula C5H8O2, molecular weight 100.05 g/mol.

What other names is 2,3-Pentanedione known by?

It is also registered under: 2,3-Pentanedione, ACETYL PROPIONYL, NATURAL, ACETYL PROPIONYL.

Which category does 2,3-Pentanedione belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 2,3-Pentanedione (CAS 600-14-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H225 (98.6%), H317 (92%), H318 (91.8%), H373 (91.9%), H370, H372, H315, H319

H225 (98.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

H317 (92%): 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 No safety concern at current levels of intake when used as a flavouring agent Secondary components do not raise a safety concern.

Physical description and handling notes

Liquid
Colorless to dark yellow liquid with a pleasant buttery odor; [Reference #1] Yellow liquid; [Alfa Aesar MSDS]
yellow to green liquid with a penetrating, buttery odour on dilution
Yellow to green-yellow liquid with a buttery odor.
Yellow liquid
Yellow to yellow-green liquid

Reported physical properties

沸点	109.9 °C
沸点	108 °C
沸点	230-234 °F
熔点	-52 °C
熔点	-61.6 °F
闪点	19 °C (66 °F) - open cup
闪点	66 °F
溶解度	In water, 6.67X10+4 at 15 °C
溶解度	66.7 mg/mL at 15 °C
密度	0.979-0.985

How this substance is indexed

CAS Registry Number	600-14-6
PubChem CID	11747
分子式	C5H8O2
分子量	100.05 g/mol
IUPAC 名称	pentane-2,3-dione
InChIKey	TZMFJUDUGYTVRY-UHFFFAOYSA-N
UNII（FDA）	K4WBE45SCM
ChEBI 编号	CHEBI:52774
FEMA 编号	2841
JECFA 编号	410

Documented uses

Used as flavoring agent or adjuvant; [FDA] Used as a substitute for diacetyl in food flavoring and food production; [Reference #1]
Flavors of butterscotch and chocolate type
... used as aroma components in alcohol-free beverages and in baked goods.
2,3-Pentanedione and acetoin were detected in 23 and 46 of the 51 flavors /of e-cigarettes/ tested at concentrations up to 64 and 529 ug/e-cigarette, respectively.
Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8339]
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Names this substance appears under

2,3-PENTANEDIONE; pentane-2,3-dione; 600-14-6; Acetylpropionyl; Acetyl propionyl; 2,3-Pentadione; FEMA No. 2841; K4WBE45SCM; DTXSID6051435; NSC-7613; CHEBI:52774; RefChem:442619; DTXCID5030036; 209-984-8; Acetylpropionyl (VAN); 2,3-pentandione

Computed molecular descriptors

分子量	100.12
XLogP3	0.1
氢键供体数	0
氢键受体数	2
可旋转键数	2
精确质量	100.052429494
单同位素质量	100.052429494
拓扑极性表面积	34.1
重原子数	7
形式电荷	0

Database abstract

2,3-Pentanedione is identified by CAS 600-14-6, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII K4WBE45SCM; ChEBI 52774; InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N. 沸点: 109.9 °C; 沸点: 108 °C; 沸点: 230-234 °F.

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

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