Isoamyl 2-methylbutanoate (CAS 27625-35-0) — formula C10H20O2, molecular weight 172.15 g/mol.
| CAS Number | 27625-35-0 |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.15 g/mol |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE.
Isoamyl 2-methylbutanoate is a chemical compound with CAS registry number 27625-35-0 and molecular formula C10H20O2 (molecular weight 172.15 g/mol).
CAS number: 27625-35-0
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: Isoamyl 2-methylbutanoate · 3-METHYLBUTYL 2-METHYLBUTANOATE · Isoamyl 2-Methyl butyrate
The CAS registry number of Isoamyl 2-methylbutanoate is 27625-35-0.
Molecular formula C10H20O2, molecular weight 172.15 g/mol.
It is also registered under: Isoamyl 2-methylbutanoate, 3-METHYLBUTYL 2-METHYLBUTANOATE, Isoamyl 2-Methyl butyrate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE.
Independent reference data for Isoamyl 2-methylbutanoate (CAS 27625-35-0), compiled from public chemistry databases.
| CAS Registry Number | 27625-35-0 |
|---|---|
| PubChem CID | 520326 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 3-methylbutyl 2-methylbutanoate |
| InChIKey | VGIRHYHLQKDEPP-UHFFFAOYSA-N |
| UNII (FDA) | 7LGN25Y6EK |
| ChEBI ID | CHEBI:179544 |
| FEMA number | 3505 |
| JECFA number | 51 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 70-71 °C (8 mm Hg) |
| Density | 0.852-0.861 |
| Refractive Index | 1.4124 |
27625-35-0; 3-Methylbutyl 2-methylbutanoate; Isopentyl 2-methylbutyrate; Isoamyl 2-methylbutyrate; Butanoic acid, 2-methyl-, 3-methylbutyl ester; Isopentyl 2-methylbutanoate; 3-Methylbutyl 2-methylbutyrate; Isoamyl 2-methylbutanoate; Isoamyl alpha-methylbutyrate; FEMA No. 3505; 7LGN25Y6EK; EINECS 248-581-1; 3-Methylbutyl 2-methylbutanoate (natural); AI3-33629; ISOAMYL-2-METHYLBUTYRATE; DTXSID90865387
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 73.3% (118 / 161) |
| GHS notification summary | 73.3% (118 / 161) |
|---|---|
| Reported hazard statements | H315 (25.5%), H319 (26.1%) |
This chemical does not meet GHS hazard criteria for 73.3% (118 of 161) of all reports.
H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Isoamyl 2-methylbutanoate is identified by CAS 27625-35-0, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 7LGN25Y6EK; ChEBI 179544; InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N. Boiling Point: 185.00 to 186.00 °C. @ 760.00 mm Hg; Boiling Point: 70-71 °C (8 mm Hg); Density: 0.852-0.861.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.