ACETYL PROPIONYL

CAS 600-14-6C5H8O2MW 100.12

ACETYL PROPIONYL（CAS 600-14-6）：分子式 C5H8O2、分子量 100.12；类别有机化学品。

规格参数

CAS号600-14-6

分子式C5H8O2

分子量100.12

熔点-52 °C

沸点109.9 °C

LogP0.1

应用领域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.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE

类别Organic Chemicals

用途与场景

登记用途：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.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE。

采购档案

这个产品是什么

ACETYL PROPIONYL 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 600-14-6，分子式 C5H8O2（分子量 100.12），归属于有机化学品大类化工原料。

识别信息

登记 CAS 号：600-14-6

其分子式 C5H8O2 由 5 个碳、8 个氢、2 个氧组成。

别名/同义词：ACETYL PROPIONYL · ACETYL PROPIONYL, NATURAL · 2,3-Pentanedione

所属分类：有机化学品

常见问题

ACETYL PROPIONYL 的 CAS 号是多少？

ACETYL PROPIONYL 的 CAS 登记号为 600-14-6。

ACETYL PROPIONYL 的分子式与分子量是多少？

分子式 C5H8O2，分子量 100.12。

ACETYL PROPIONYL 还有哪些别名？

别名/同义词：ACETYL PROPIONYL、ACETYL PROPIONYL, NATURAL、2,3-Pentanedione。

ACETYL PROPIONYL 的登记用途是什么？

登记用途：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.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE。

ACETYL PROPIONYL 属于哪个分类？

所属分类：Organic Chemicals。

PubChem 公开数据

ACETYL PROPIONYL（CAS 600-14-6）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

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]

法规与备案状态

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.

物理形态与操作说明

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

公开数据库收录的理化数据

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

这个物质在各数据库里的编号

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

数据库记载的用途

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

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

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.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。