Butan-3-one-2-yl butanoate

Name: Butan-3-one-2-yl butanoate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160331

CAS 84642-61-5C8H14O3MW 158.09 g/mol

Butan-3-one-2-yl butanoate (CAS 84642-61-5) — formula C8H14O3, molecular weight 158.09 g/mol.

Specifications

CAS Number84642-61-5

Molecular FormulaC8H14O3

Molecular Weight158.09 g/mol

Boiling Point76 °C (11 mm Hg)

LogP1.1

ApplicationsUse Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Where it is used

Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.

Purchase Profile

What this product is

Butan-3-one-2-yl butanoate is a chemical compound with CAS registry number 84642-61-5 and molecular formula C8H14O3 (molecular weight 158.09 g/mol).

Identification

CAS number: 84642-61-5

Its molecular formula C8H14O3 comprises 8 C, 14 H, 3 O atoms.

Also known as: Butan-3-one-2-yl butanoate · 1-methyl-2-oxopropyl butyrate

Frequently Asked Questions

What is the CAS number of Butan-3-one-2-yl butanoate?

The CAS registry number of Butan-3-one-2-yl butanoate is 84642-61-5.

What is the molecular formula and molecular weight of Butan-3-one-2-yl butanoate?

Molecular formula C8H14O3, molecular weight 158.09 g/mol.

What other names is Butan-3-one-2-yl butanoate known by?

It is also registered under: Butan-3-one-2-yl butanoate, 1-methyl-2-oxopropyl butyrate.

What are the documented applications of Butan-3-one-2-yl butanoate?

Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.

PubChem Public Data

Public-database records for Butan-3-one-2-yl butanoate (CAS 84642-61-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (92 / 92)

This chemical does not meet GHS hazard criteria for 100% (92 of 92) of all reports.

Reported as not meeting GHS hazard criteria by 92 of 92 companies. For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	100% (92 / 92)

Physical description and handling notes

white to slightly yellow liquid with a sweet, red berry characteristic odour
soluble in alcohol, propylene glycol and most fixed oils; insoluble in water
(in ethanol)

Reported physical properties

沸点	76 °C (11 mm Hg)
密度	0.972-0.992
折射率	1.408-1.429

How this substance is indexed

CAS Registry Number	84642-61-5
PubChem CID	529253
分子式	C8H14O3
分子量	158.09 g/mol
IUPAC 名称	3-oxobutan-2-yl butanoate
InChIKey	LJDWJXUIGKSETE-UHFFFAOYSA-N
UNII（FDA）	SEN8DCI58L
ChEBI 编号	CHEBI:173671
FEMA 编号	3332
JECFA 编号	407

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

Names this substance appears under

1-Methyl-2-oxopropyl butyrate; Butan-3-one-2-yl butanoate; Acetoyl butyrate; 84642-61-5; 3-oxobutan-2-yl butanoate; 1-Methyl-2-oxopropyl butanoate; FEMA No. 3332; SEN8DCI58L; Butanoic acid, 1-methyl-2-oxopropyl ester; EINECS 283-438-7; Butan-3-one-2-yl butanoate (natural); DTXSID601305714; BUTAN-3-ONE-2-YL BUTANOATE [FCC]; BUTAN-3-ONE-2-YL BUTANOATE [FHFI]; RefChem:570567; DTXCID201735692

Computed molecular descriptors

分子量	158.19
XLogP3	1.1
氢键供体数	0
氢键受体数	3
可旋转键数	5
精确质量	158.094294304
单同位素质量	158.094294304
拓扑极性表面积	43.4
重原子数	11
形式电荷	0

Database abstract

Butan-3-one-2-yl butanoate is identified by CAS 84642-61-5, molecular formula C8H14O3 and molecular weight 158.09 g/mol. UNII SEN8DCI58L; ChEBI 173671; InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N. 沸点: 76 °C (11 mm Hg); 密度: 0.972-0.992; Refractive Index: 1.408-1.429.

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

You may also need

Butanedioic acid,2,3-dihydroxy-, sodium salt (1:2), (2R,3R)-rel-CAS 51307-92-7›

Butane-silverCAS 54597-66-9›

ButanediolCAS 25265-75-2›

Butanoic acid, amino-CAS 28805-76-7›

Butanedioic acid 4-amino-5-chloro-2,3-dihydro-N-[1-(3-methoxypropyl)-4-piperidinyl]-7-benzofurancarboxamideCAS 179474-85-2›

Butanedioic acid,2-sulfo-, 1,4-dioctyl esterCAS 2373-23-1›

Butanoic acid, 3-oxo-, 2-methylpropyl esterCAS 7779-75-1›

ButanetetracarboxylicdianhydrideCAS 17309-39-6›

Get a quote for Butan-3-one-2-yl butanoate

Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.

Email Inquiry WhatsApp