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butyl isovalerate

CAS 109-19-3C9H18O2MW 158.13 g/mol

butyl isovalerate (CAS 109-19-3) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.

Product Overview

CAS Number109-19-3
Molecular FormulaC9H18O2
Molecular Weight158.13 g/mol
Boiling Point150 °C
LogP2.6
ApplicationsUses: Reportedly present in the oils of two Australian plants, Used as flavoring ingredient, [HSDB], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, butyl ester: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Reportedly present in the oils of two Australian plants, Used as flavoring ingredient, [HSDB], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, butyl ester: ACTIVE.

Technical Profile

What this product is

butyl isovalerate is a carbon-based organic compound with CAS registry number 109-19-3 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 109-19-3

Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.

Also known as: butyl isovalerate · 异戊酸丁酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of butyl isovalerate?

The CAS registry number of butyl isovalerate is 109-19-3.

What is the molecular formula and molecular weight of butyl isovalerate?

Molecular formula C9H18O2, molecular weight 158.13 g/mol.

What other names is butyl isovalerate known by?

It is also registered under: butyl isovalerate, 异戊酸丁酯.

What are the documented applications of butyl isovalerate?

Recorded applications: Uses: Reportedly present in the oils of two Australian plants, Used as flavoring ingredient, [HSDB], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, butyl ester: ACTIVE.

Which category does butyl isovalerate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for butyl isovalerate (CAS 109-19-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number109-19-3
PubChem CID7981
Molecular formulaC9H18O2
Molecular weight158.13 g/mol
IUPAC namebutyl 3-methylbutanoate
InChIKeyAYWJSCLAAPJZEF-UHFFFAOYSA-N
UNII (FDA)4UX6V9QM2J
ChEBI IDCHEBI:89723
FEMA number2218
JECFA number198

Computed descriptors

Molecular Weight158.24
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area26.3
Heavy Atom Count11

Physicochemical values on record

Boiling Point150 °C
Boiling Point174.00 to 175.00 °C. @ 760.00 mm Hg
Boiling Point175 °C
Flash Point53 °C
Density0.87
Density0.856-0.859
Vapor Density5.45
Refractive Index1.407-1.411

Documented uses on record

    Reportedly present in the oils of two Australian plants; Used as flavoring ingredient; [HSDB]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    BUTYL ISOVALERATE; Butyl 3-methylbutanoate; Butyl isopentanoate; n-Butyl isovalerate; 1-Butyl isovalerate; Butyl isovalerianate; Butyl 3-methylbutyrate; Butanoic acid, 3-methyl-, butyl ester; Isovaleric acid, butyl ester; n-Butyl isopentanoate; n-Butyl 3-methylbutanoate; FEMA No. 2218; Butyl isovalerate (natural); 4UX6V9QM2J; n-Butyl iso-valerate; NSC 6187

    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
    Fruity
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH226 (97.4%)

    H226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]

    P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

    What the public record says

    butyl isovalerate is identified by CAS 109-19-3, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 4UX6V9QM2J; ChEBI 89723; InChIKey AYWJSCLAAPJZEF-UHFFFAOYSA-N. Boiling Point: 150 °C; Boiling Point: 174.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 175 °C.

    Physical description and handling notes

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

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