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Home › Product Catalog › 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE

3,7-DIMETHYL-6-OCTEN-1-YL VALERATE

CAS 7540-53-6C15H28O2MW 240.38

3,7-DIMETHYL-6-OCTEN-1-YL VALERATE (CAS 7540-53-6) — formula C15H28O2, molecular weight 240.38; category organic chemicals.

Product Overview

CAS Number7540-53-6
Molecular FormulaC15H28O2
Molecular Weight240.38
Boiling Point237.00 to 240.00 °C. @ 760.00 mm Hg
LogP5.1
CategoryOrganic Chemicals

Technical Profile

What this product is

3,7-DIMETHYL-6-OCTEN-1-YL 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: 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE · 3,7-二甲基-6-辛烯-1-戊酸酯 · CITRONELLYL VALERATE · 3,7-dimethyloct-6-enyl valerate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE?

The CAS registry number of 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE is 7540-53-6.

What is the molecular formula and molecular weight of 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE?

Molecular formula C15H28O2, molecular weight 240.38.

What other names is 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE known by?

It is also registered under: 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE, 3,7-二甲基-6-辛烯-1-戊酸酯, CITRONELLYL VALERATE, 3,7-dimethyloct-6-enyl valerate.

Which category does 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3,7-DIMETHYL-6-OCTEN-1-YL VALERATE (CAS 7540-53-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number7540-53-6
PubChem CID61416
Molecular formulaC15H28O2
IUPAC name3,7-dimethyloct-6-enyl pentanoate
UNII (FDA)43TPH8V20B
FEMA number2317
JECFA number69

Computed descriptors

Molecular Weight240.38
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass240.208930132
Monoisotopic Mass240.208930132
Topological Polar Surface Area26.3
Heavy Atom Count17

Physicochemical values on record

Boiling Point237.00 to 240.00 °C. @ 760.00 mm Hg
Boiling Point237 °C
Density0.890 (15.5 °C)
Refractive Index1.4435

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactEU 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

    GHS hazard classification

    Reported hazard statementsH315 (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]

    What the public record says

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

    Physical description and handling notes

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

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