ethyl 3-hydroxybutyrate (CAS 5405-41-4) — formula C6H12O3, molecular weight 132.08 g/mol; category organic chemicals.
| CAS Number | 5405-41-4 |
|---|---|
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.08 g/mol |
| Boiling Point | 338 °F at 760 mmHg (NTP, 1992) |
| LogP | 0.2 |
| 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。.
ethyl 3-hydroxybutyrate is a carbon-based organic compound with CAS registry number 5405-41-4 and molecular formula C6H12O3 (molecular weight 132.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5405-41-4
Its molecular formula C6H12O3 comprises 6 C, 12 H, 3 O atoms.
Also known as: ethyl 3-hydroxybutyrate · 3-羟基丁酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 3-hydroxybutyrate is 5405-41-4.
Molecular formula C6H12O3, molecular weight 132.08 g/mol.
It is also registered under: ethyl 3-hydroxybutyrate, 3-羟基丁酸乙酯.
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 ethyl 3-hydroxybutyrate (CAS 5405-41-4), compiled from public chemistry databases.
| CAS Registry Number | 5405-41-4 |
|---|---|
| PubChem CID | 62572 |
| Molecular formula | C6H12O3 |
| Molecular weight | 132.08 g/mol |
| IUPAC name | ethyl 3-hydroxybutanoate |
| InChIKey | OMSUIQOIVADKIM-UHFFFAOYSA-N |
| UNII (FDA) | 52008C87PV |
| ChEBI ID | CHEBI:87685 |
| FEMA number | 3428 |
| JECFA number | 594 |
| Molecular Weight | 132.16 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.078644241 |
| Monoisotopic Mass | 132.078644241 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 9 |
| Boiling Point | 338 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 170.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 170 °C; 67 °C (4 mm Hg) |
| Flash Point | 148 °F (NTP, 1992) |
| Density | 1.010-1.017 |
| Refractive Index | 1.416-1.424 |
Ethyl 3-hydroxybutyrate; Ethyl 3-hydroxybutanoate; 5405-41-4; Ethyl beta-hydroxybutyrate; Butanoic acid, 3-hydroxy-, ethyl ester; Ethyl dl-3-hydroxybutyrate; FEMA No. 3428; Butyric acid, 3-hydroxy-, ethyl ester; Ethyl (1)-3-hydroxybutyrate; DTXSID6025305; 3-hydroxybutyric acid ethyl ester; NSC-8115; NSC-42916; 52008C87PV; DTXCID105305; CHEBI:87685
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Marshmallow, Roasted Nut No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 4% (66 / 1638) |
| GHS notification summary | 4% (66 / 1638) |
|---|---|
| Reported hazard statements | H226 (96%), H227 |
This chemical does not meet GHS hazard criteria for 4% (66 of 1638) of reports.
H226 (96%): Flammable liquid and vapor [Warning Flammable liquids]
ethyl 3-hydroxybutyrate is identified by CAS 5405-41-4, molecular formula C6H12O3 and molecular weight 132.08 g/mol. UNII 52008C87PV; ChEBI 87685; InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N. Boiling Point: 338 °F at 760 mmHg (NTP, 1992); Boiling Point: 170.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 170 °C; 67 °C (4 mm Hg).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-羟基丁酸乙酯