NATURAL ISOAMYL BUTYRATE (CAS 106-27-4) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 106-27-4 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| Melting Point | -73.2 °C |
| Boiling Point | 179.00 °C. @ 760.00 mm Hg |
| LogP | 3.250 |
| Category | Organic Chemicals |
NATURAL ISOAMYL BUTYRATE is a carbon-based organic compound with CAS registry number 106-27-4 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 106-27-4
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: NATURAL ISOAMYL BUTYRATE · Isoamyl Butyrate
Category: organic chemicals
The CAS registry number of NATURAL ISOAMYL BUTYRATE is 106-27-4.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: NATURAL ISOAMYL BUTYRATE, Isoamyl Butyrate.
Category: Organic Chemicals.
Independent reference data for NATURAL ISOAMYL BUTYRATE (CAS 106-27-4), compiled from public chemistry databases.
| CAS Registry Number | 106-27-4 |
|---|---|
| PubChem CID | 7795 |
| Molecular formula | C9H18O2 |
| IUPAC name | 3-methylbutyl butanoate |
| UNII (FDA) | 505AFM77VU |
| FEMA number | 2060 |
| JECFA number | 45 |
| 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 | 179.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 179 °C |
| Melting Point | -73.2 °C |
| Solubility | 118 mg/L @ 25 °C (exp) |
| Density | 0.861 - 0.866 |
| LogP | 3.250 |
| Refractive Index | 1.409 - 1.414 |
Isoamyl butyrate; Isopentyl butyrate; 106-27-4; 3-Methylbutyl butanoate; Butanoic acid, 3-methylbutyl ester; ISOPENTYL BUTANOATE; Isoamyl butanoate; 3-Methylbutyl butyrate; Butyric acid, isopentyl ester; Isoamyl-n-butyrate; Isopentyl alcohol, butyrate; FEMA No. 2060; 3-Methyl-1-butyl butanoate; DTXSID3042059; 505AFM77VU; NSC-6548
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-3 mg/kg bw (1979) |
|---|
| Reported hazard statements | H226 (98.6%), H412 (94.3%) |
|---|
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
H412 (94.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
NATURAL ISOAMYL BUTYRATE · CAS 106-27-4 · C9H18O2. UNII 505AFM77VU. Boiling Point: 179.00 °C. @ 760.00 mm Hg; Boiling Point: 179 °C; Melting Point: -73.2 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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