CITRONELLYL VALERATE

CAS 7540-53-6C15H28O2MW 240.38

CITRONELLYL VALERATE (CAS 7540-53-6) — formula C15H28O2, molecular weight 240.38; category organic chemicals.

Specifications

CAS Number7540-53-6

Molecular FormulaC15H28O2

Molecular Weight240.38

Boiling Point237.00 to 240.00 °C. @ 760.00 mm Hg

LogP5.1

ApplicationsUse Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Pentanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE

CategoryOrganic Chemicals

Where it is used

Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Pentanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE.

Purchase Profile

What this product is

CITRONELLYL VALERATE is a carbon-based organic compound with CAS registry number 7540-53-6 and molecular formula C15H28O2 (molecular weight 240.38), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 7540-53-6

Its molecular formula C15H28O2 comprises 15 C, 28 H, 2 O atoms.

Also known as: CITRONELLYL VALERATE · 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE · 3,7-dimethyloct-6-enyl valerate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of CITRONELLYL VALERATE?

The CAS registry number of CITRONELLYL VALERATE is 7540-53-6.

What is the molecular formula and molecular weight of CITRONELLYL VALERATE?

Molecular formula C15H28O2, molecular weight 240.38.

What other names is CITRONELLYL VALERATE known by?

It is also registered under: CITRONELLYL VALERATE, 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE, 3,7-dimethyloct-6-enyl valerate.

What are the documented applications of CITRONELLYL VALERATE?

Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Pentanoic acid, 3, 7-dimethyl-6-octen-1-yl ester: ACTIVE.

Which category does CITRONELLYL VALERATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for CITRONELLYL VALERATE (CAS 7540-53-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H315 (100%), H319 (100%), H335 (100%), H413 (30.5%)

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Regulatory listings

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

Physical description and handling notes

liquid/rose, herb, honey-like odour
(in ethanol)

Reported physical properties

沸点	237.00 to 240.00 °C. @ 760.00 mm Hg
沸点	237 °C
密度	0.890 (15.5 °C)
折射率	1.4435

How this substance is indexed

CAS Registry Number	7540-53-6
PubChem CID	61416
分子式	C15H28O2
IUPAC 名称	3,7-dimethyloct-6-enyl pentanoate
UNII（FDA）	43TPH8V20B
FEMA 编号	2317
JECFA 编号	69

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE

Names this substance appears under

CITRONELLYL VALERATE; 7540-53-6; Citronellyl pentanoate; 3,7-dimethyloct-6-enyl pentanoate; Pentanoic acid, 3,7-dimethyl-6-octenyl ester; 3,7-Dimethyloct-6-enyl valerate; Pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester; FEMA No. 2317; 3,7-dimethyloct-6-en-1-yl pentanoate; 43TPH8V20B; DTXSID00864088; RefChem:126600; DTXCID90812639; 231-416-2; 3,7-Dimethyl-6-octen-1-yl valerate; 3,7-Dimethyl-6-octen-1-yl pentanoate

Computed molecular descriptors

分子量	240.38
XLogP3	5.1
氢键供体数	0
氢键受体数	2
可旋转键数	10
精确质量	240.208930132
单同位素质量	240.208930132
拓扑极性表面积	26.3
重原子数	17
形式电荷	0

Database abstract

3,7-dimethyloct-6-enyl valerate · CAS 7540-53-6 · C15H28O2. UNII 43TPH8V20B. 沸点: 237.00 to 240.00 °C. @ 760.00 mm Hg; 沸点: 237 °C; 密度: 0.890 (15.5 °C).

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

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