butyl valerate (CAS 591-68-4) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.
| CAS Number | 591-68-4 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 g/mol |
| Melting Point | -92.8 °C |
| Boiling Point | 185.80 °C. @ 760.00 mm Hg |
| LogP | 3.36 |
| Packaging | 25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准） |
| Applications | 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。 |
| Category | Organic Chemicals |
Documented applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
butyl valerate is a carbon-based organic compound with CAS registry number 591-68-4 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 591-68-4
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: butyl valerate · 戊酸丁酯
Category: organic chemicals
The CAS registry number of butyl valerate is 591-68-4.
Molecular formula C9H18O2, molecular weight 158.13 g/mol.
It is also registered under: butyl valerate, 戊酸丁酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
Category: Organic Chemicals.
Independent reference data for butyl valerate (CAS 591-68-4), compiled from public chemistry databases.
| CAS Registry Number | 591-68-4 |
|---|---|
| PubChem CID | 61137 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | butyl pentanoate |
| InChIKey | OKJADYKTJJGKDX-UHFFFAOYSA-N |
| UNII (FDA) | F93Z6CCM06 |
| ChEBI ID | CHEBI:89761 |
| FEMA number | 2217 |
| JECFA number | 160 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 185.80 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 186.5 °C |
| Melting Point | -92.8 °C |
| Density | 0.861-0.871(d20/4) |
| LogP | 3.36 |
| Refractive Index | 1.408-1.416 |
Butyl valerate; Butyl pentanoate; PENTANOIC ACID, BUTYL ESTER; FEMA No. 2217; F93Z6CCM06; UNII-F93Z6CCM06; EINECS 209-728-5; BUTYL VALERATE [FHFI]; AI3-30051; BUTYL VALERATE [USP-RS]; DTXSID3060455; FEMA 2217; BUTYL VALERATE (USP-RS); Butyl pentanoic acid; RefChem:122295; DTXCID4042547
| 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 |
|---|---|
| GHS notification summary | 6.3% (89 / 1417) |
| GHS notification summary | 6.3% (89 / 1417) |
|---|---|
| Reported hazard statements | H226 (90.8%) |
This chemical does not meet GHS hazard criteria for 6.3% (89 of 1417) of reports.
H226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]
butyl valerate is identified by CAS 591-68-4, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII F93Z6CCM06; ChEBI 89761; InChIKey OKJADYKTJJGKDX-UHFFFAOYSA-N. Boiling Point: 185.80 °C. @ 760.00 mm Hg; Boiling Point: 186.5 °C; Melting Point: -92.8 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 戊酸丁酯