PROPYL ISOVALERATE (CAS 557-00-6) — formula C8H16O2, molecular weight 144.21; category organic chemicals.
| CAS Number | 557-00-6 |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| LogP | 2.3 |
| Category | Organic Chemicals |
PROPYL ISOVALERATE is a carbon-based organic compound with CAS registry number 557-00-6 and molecular formula C8H16O2 (molecular weight 144.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 557-00-6
Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms.
Also known as: PROPYL ISOVALERATE · 异戊酸丙酯
Category: organic chemicals
The CAS registry number of PROPYL ISOVALERATE is 557-00-6.
Molecular formula C8H16O2, molecular weight 144.21.
It is also registered under: PROPYL ISOVALERATE, 异戊酸丙酯.
Category: Organic Chemicals.
Independent reference data for PROPYL ISOVALERATE (CAS 557-00-6), compiled from public chemistry databases.
| CAS Registry Number | 557-00-6 |
|---|---|
| PubChem CID | 11176 |
| Molecular formula | C8H16O2 |
| IUPAC name | propyl 3-methylbutanoate |
| UNII (FDA) | 802KM69CKR |
| FEMA number | 2960 |
| JECFA number | 197 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 156-157 °C |
| Density | 0.860 - 0.866 |
| Refractive Index | 1.400 - 1.405 |
PROPYL ISOVALERATE; Propyl 3-methylbutanoate; 557-00-6; Butanoic acid, 3-methyl-, propyl ester; Propyl isopentanoate; Isovaleric acid, propyl ester; Propyl 3-methylbutyrate; Propyl isovalerianate; FEMA No. 2960; n-Propyl iso-valerate; 802KM69CKR; 3-Methylbutanoic acid, propyl ester; EINECS 209-148-2; Propyl isovalerate (natural); BRN 1747146; UNII-802KM69CKR
| 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 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): 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)
PROPYL ISOVALERATE · CAS 557-00-6 · C8H16O2. UNII 802KM69CKR. Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg; Boiling Point: 156-157 °C; Density: 0.860 - 0.866.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸丙酯