isoamyl isovalerate (CAS 659-70-1) — formula C10H20O2, molecular weight 172.26; category organic chemicals.
| CAS Number | 659-70-1 |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.26 |
| Boiling Point | 190.00 to 191.00 °C. @ 760.00 mm Hg |
| LogP | 3.1 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 3-methylbutyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 3-methylbutyl ester: ACTIVE.
isoamyl isovalerate is a carbon-based organic compound with CAS registry number 659-70-1 and molecular formula C10H20O2 (molecular weight 172.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 659-70-1
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: isoamyl isovalerate · 异戊酸异戊酯
Category: organic chemicals
The CAS registry number of isoamyl isovalerate is 659-70-1.
Molecular formula C10H20O2, molecular weight 172.26.
It is also registered under: isoamyl isovalerate, 异戊酸异戊酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 3-methyl-, 3-methylbutyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for isoamyl isovalerate (CAS 659-70-1), compiled from public chemistry databases.
| CAS Registry Number | 659-70-1 |
|---|---|
| PubChem CID | 12613 |
| Molecular formula | C10H20O2 |
| IUPAC name | 3-methylbutyl 3-methylbutanoate |
| UNII (FDA) | 16M1VA1FJY |
| FEMA number | 2085 |
| JECFA number | 50 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.1 |
| 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 | 190.00 to 191.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 192 °C |
| Density | 0.851 - 0.857 |
| Refractive Index | 1.411 - 1.414 |
ISOAMYL ISOVALERATE; 659-70-1; Isopentyl 3-methylbutanoate; 3-Methylbutyl 3-methylbutanoate; Isopentyl isopentanoate; Solusterol; Isopentyl isovalerate; Apple essence; Isoamyl valerianate; iso-Amyl isovalerate; 3-Methylbutyl isovalerate; Butanoic acid, 3-methyl-, 3-methylbutyl ester; Isovaleric acid, isopentyl ester; Isoamyl 3-methylbutanoate; Isoamyl isovalerianate; Isopentyl 3-methylbutyrate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.7% (12 / 1739) |
| GHS notification summary | 0.7% (12 / 1739) |
|---|---|
| Reported hazard statements | H411 (97.1%) |
This chemical does not meet GHS hazard criteria for 0.7% (12 of 1739) of reports.
H411 (97.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
isoamyl isovalerate · CAS 659-70-1 · C10H20O2. UNII 16M1VA1FJY. Boiling Point: 190.00 to 191.00 °C. @ 760.00 mm Hg; Boiling Point: 192 °C; Density: 0.851 - 0.857.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸异戊酯