isoamyl formate
isoamyl formate structure
|
Common Name | isoamyl formate | ||
|---|---|---|---|---|
| CAS Number | 110-45-2 | Molecular Weight | 116.158 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 126.0±9.0 °C at 760 mmHg | |
| Molecular Formula | C6H12O2 | Melting Point | -93°C | |
| MSDS | Chinese USA | Flash Point | 22.3±5.7 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
Summary: isoamyl formate, also known as 甲酸异戊酯, has a CAS number of 110-45-2, with a molecular formula of C6H12O2 and a molecular weight of 116.158. It is a colorless liquid with a melting point of -93°C and a boiling point of 126.0±9.0°C, and a density of 0.9±0.1 g/cm3. It is primarily used in fragrance and organic synthesis, and is listed as an allowed food flavoring in GB 2760—96, often used for fruit-type fragrances. 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 | isoamyl formate |
|---|---|
| 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 | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 126.0±9.0 °C at 760 mmHg |
| Melting Point | -93°C |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.158 |
| Flash Point | 22.3±5.7 °C |
| Exact Mass | 116.083733 |
| PSA | 26.30000 |
| LogP | 1.71 |
| Vapour Pressure | 11.9±0.2 mmHg at 25°C |
| Index of Refraction | 1.398 |
| InChIKey | XKYICAQFSCFURC-UHFFFAOYSA-N |
| SMILES | CC(C)CCOC=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H319-H335 |
| Precautionary Statements | P210-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 |
| Safety Phrases | S24-S2 |
| RIDADR | UN 1109 3/PG 3 |
| WGK Germany | 1 |
| RTECS | NT0185000 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 2915120000 |
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 10 | |
CAS#:123-51-3
CAS#:109-94-4
CAS#:121393-39-3
CAS#:544-01-4
CAS#:64-18-6
CAS#:71-41-0
CAS#:141-53-7
CAS#:67-56-1
CAS#:144-62-7
CAS#:19533-24-5
CAS#:58246-76-7
CAS#:487-89-8
CAS#:23459-13-4
CAS#:7791-25-5
CAS#:62784-66-1
CAS#:7443-52-9
CAS#:5416-80-8
CAS#:66946-71-2
CAS#:603-48-5
CAS#:1003-29-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915120000 |
|---|---|
| Summary | 2915120000 salts of formic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| isoamyl_formate |
| MFCD00021049 |
| Isopentyl formate |
| Isoamyl methanoate |
| 3-Methylbutyl formate |
| iso-Amyl formate |
| EINECS 252-343-2 |
| Formic Acid Isoamyl Ester |
| 1-Butanol, 3-methyl-, formate |
| isoamyl formate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of isoamyl formate? |
| A: Related downstream products(CAS) of isoamyl formate: 58246-76-7;487-89-8;23459-13-4;7791-25-5;62784-66-1;7443-52-9;5416-80-8;66946-71-2;603-48-5;1003-29-8. |
| Q: What is the polar surface area (PSA) of isoamyl formate? |
| A: Polar surface area (PSA) of isoamyl formate is 26.30000. |
| Q: What is the melting point of isoamyl formate? |
| A: Melting point of isoamyl formate is -93°C. |
| Q: What is the boiling point of isoamyl formate? |
| A: Boiling point of isoamyl formate is 126.0±9.0 °C at 760 mmHg. |
| Q: What is the safety information for isoamyl formate? |
| A: Safety information for isoamyl formate: S24-S2. |
| Q: What is the CAS number of isoamyl formate? |
| A: CAS number of isoamyl formate is 110-45-2. |
| Q: What are the upstream materials of isoamyl formate? |
| A: Related upstream materials(CAS) of isoamyl formate: 123-51-3;109-94-4;121393-39-3;544-01-4;64-18-6;71-41-0;141-53-7;67-56-1;144-62-7;19533-24-5. |
| Q: What is the molecular formula of isoamyl formate? |
| A: Molecular formula of isoamyl formate is C6H12O2. |
| Q: What is the English name of isoamyl formate? |
| A: The English name of isoamyl formate is isoamyl formate. |
| Q: What is the LogP of isoamyl formate? |
| A: LogP of isoamyl formate is 1.71. |
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. |