Amyl hexanoate

Name: Amyl hexanoate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160179

CAS 540-07-8C11H22O2MW 186.16 g/mol

Amyl hexanoate (CAS 540-07-8) — formula C11H22O2, molecular weight 186.16 g/mol.

Specifications

CAS Number540-07-8

Molecular FormulaC11H22O2

Molecular Weight186.16 g/mol

Melting Point-47 °C

Boiling Point222-227 °C

LogP3.8

ApplicationsUse Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, pentyl ester: ACTIVE

Where it is used

Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, pentyl ester: ACTIVE.

Purchase Profile

What this product is

Amyl hexanoate is a chemical compound with CAS registry number 540-07-8 and molecular formula C11H22O2 (molecular weight 186.16 g/mol).

Identification

CAS number: 540-07-8

Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.

Also known as: Amyl hexanoate · amyl caproate

Frequently Asked Questions

What is the CAS number of Amyl hexanoate?

The CAS registry number of Amyl hexanoate is 540-07-8.

What is the molecular formula and molecular weight of Amyl hexanoate?

Molecular formula C11H22O2, molecular weight 186.16 g/mol.

What other names is Amyl hexanoate known by?

It is also registered under: Amyl hexanoate, amyl caproate.

What are the documented applications of Amyl hexanoate?

Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, pentyl ester: ACTIVE.

PubChem Public Data

Public-database records for Amyl hexanoate (CAS 540-07-8), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	0.1% (1 / 1470)
Reported hazard statements	H315, H319

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1470) of reports.

H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh, Rose No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 1470)

Physical description and handling notes

Liquid
colourless liquid with a fruity odour
soluble in alcohol, propylene glycol, fixed oils: insoluble in glycerol, water
1 ml in 1 ml 80% alcohol (in ethanol)
151.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0047581]

Reported physical properties

沸点	222-227 °C
熔点	-47 °C
密度	0.858-0.863
折射率	1.418-1.422

How this substance is indexed

CAS Registry Number	540-07-8
PubChem CID	10886
分子式	C11H22O2
分子量	186.16 g/mol
IUPAC 名称	pentyl hexanoate
InChIKey	WRFZKAGPPQGDDQ-UHFFFAOYSA-N
UNII（FDA）	5M61M1AL1H
ChEBI 编号	CHEBI:179383
FEMA 编号	2074
JECFA 编号	163

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Hexanoic acid, pentyl ester: ACTIVE

Names this substance appears under

PENTYL HEXANOATE; Amyl hexanoate; 540-07-8; n-Amyl caproate; Amyl capronate; Hexanoic acid, pentyl ester; FEMA No. 2074; DTXSID0047581; NSC-46119; 5M61M1AL1H; DTXCID8027581; RefChem:171517; 208-732-4; Amyl caproate; Pentyl caproate; Amyl hexoate

Computed molecular descriptors

分子量	186.29
XLogP3	3.8
氢键供体数	0
氢键受体数	2
可旋转键数	9
精确质量	186.161979940
单同位素质量	186.161979940
拓扑极性表面积	26.3
重原子数	13
形式电荷	0

Database abstract

Amyl hexanoate is identified by CAS 540-07-8, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII 5M61M1AL1H; ChEBI 179383; InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N. 沸点: 222-227 °C; 熔点: -47 °C; 密度: 0.858-0.863.

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

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