Butyl Valerate
Butyl Valerate structure
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Common Name | Butyl Valerate | ||
|---|---|---|---|---|
| CAS Number | 591-68-4 | Molecular Weight | 158.23800 | |
| Density | 0.868 g/mL at 25 °C(lit.) | Boiling Point | 186-187 °C(lit.) | |
| Molecular Formula | C9H18O2 | Melting Point | -92.8ºC | |
| MSDS | Chinese USA | Flash Point | 152 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: Butyl Valerate, Chinese name: 戊酸丁酯, CAS number: 591-68-4, molecular formula: C9H18O2, molecular weight: 158.23800. It is a liquid with an apple-raspberry odor, with a melting point of -92.8°C and a boiling point of 186-187°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Butyl Valerate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.868 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 186-187 °C(lit.) |
| Melting Point | -92.8ºC |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.23800 |
| Flash Point | 152 °F |
| Exact Mass | 158.13100 |
| PSA | 26.30000 |
| LogP | 2.51990 |
| Index of Refraction | n20/D 1.412(lit.) |
| InChIKey | OKJADYKTJJGKDX-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CCCC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R10;R36/37/38 |
| Safety Phrases | S16-S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 0 | |
CAS#:71-36-3
CAS#:109-52-4
CAS#:123-76-2
CAS#:1540-36-9
CAS#:110-62-3
CAS#:109-65-9
CAS#:502-56-7
CAS#:542-69-8
CAS#:201230-82-2
CAS#:24406-16-4This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Toxicity determined using Tadpole Narcosis Test
Source: ChEMBL
Target: N/A
External Id: CHEMBL858647
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 209-728-5 |
| butyl pentanoate |
| MFCD00015258 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Butyl Valerate? |
| A: Polar surface area (PSA) of Butyl Valerate is 26.30000. |
| Q: What are the upstream materials of Butyl Valerate? |
| A: Related upstream materials(CAS) of Butyl Valerate: 71-36-3;109-52-4;123-76-2;1540-36-9;110-62-3;109-65-9;502-56-7;542-69-8;201230-82-2;24406-16-4. |
| Q: What is the LogP of Butyl Valerate? |
| A: LogP of Butyl Valerate is 2.51990. |
| Q: What is the boiling point of Butyl Valerate? |
| A: Boiling point of Butyl Valerate is 186-187 °C(lit.). |
| Q: What is the InChIKey of Butyl Valerate? |
| A: InChIKey of Butyl Valerate is OKJADYKTJJGKDX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of Butyl Valerate? |
| A: Molecular weight of Butyl Valerate is 158.23800. |
| Q: What is the CAS number of Butyl Valerate? |
| A: CAS number of Butyl Valerate is 591-68-4. |
| Q: What is the molecular formula of Butyl Valerate? |
| A: Molecular formula of Butyl Valerate is C9H18O2. |
| Q: What English synonyms does Butyl Valerate have? |
| A: English synonyms of Butyl Valerate: EINECS 209-728-5, butyl pentanoate, MFCD00015258. |
| Q: What is the SMILES notation of Butyl Valerate? |
| A: SMILES notation of Butyl Valerate is CCCCOC(=O)CCCC. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |