butyl isovalerate (CAS 109-19-3) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.
| CAS Number | 109-19-3 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 g/mol |
| Boiling Point | 150 °C |
| LogP | 2.6 |
| 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 |
| Category | Organic Chemicals |
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.
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.
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
The CAS registry number of butyl isovalerate is 109-19-3.
Molecular formula C9H18O2, molecular weight 158.13 g/mol.
It is also registered under: butyl isovalerate, 异戊酸丁酯.
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.
Category: Organic Chemicals.
Independent reference data for butyl isovalerate (CAS 109-19-3), compiled from public chemistry databases.
| CAS Registry Number | 109-19-3 |
|---|---|
| PubChem CID | 7981 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | butyl 3-methylbutanoate |
| InChIKey | AYWJSCLAAPJZEF-UHFFFAOYSA-N |
| UNII (FDA) | 4UX6V9QM2J |
| ChEBI ID | CHEBI:89723 |
| FEMA number | 2218 |
| JECFA number | 198 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 150 °C |
|---|---|
| Boiling Point | 174.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 175 °C |
| Flash Point | 53 °C |
| Density | 0.87 |
| Density | 0.856-0.859 |
| Vapor Density | 5.45 |
| Refractive Index | 1.407-1.411 |
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 & Food Contact | EU 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 |
|---|
| Reported hazard statements | H226 (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)
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸丁酯