异戊酸 2- 甲基丁酯，CAS 登记号 2445-77-4，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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2-METHYLBUTYL ISOVALERATE is identified by CAS 2445-77-4, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 7G5TZ5034W; ChEBI 179538; InChIKey CYGPPWVXOWCHJB-UHFFFAOYSA-N. Boiling Point: 191.00 to 195.00 °C. @ 760.00 mm Hg; Boiling Point: 113-115 °C; Density: 0.852-0.857.
| CAS Registry Number | 2445-77-4 |
|---|---|
| PubChem CID | 62445 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 2-methylbutyl 3-methylbutanoate |
| InChIKey | CYGPPWVXOWCHJB-UHFFFAOYSA-N |
| UNII (FDA) | 7G5TZ5034W |
| ChEBI ID | CHEBI:179538 |
| FEMA number | 3506 |
| JECFA number | 204 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Boiling Point | 191.00 to 195.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 113-115 °C |
| Density | 0.852-0.857 |
| Refractive Index | 1.394 |
| 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 |
|---|---|
| GHS notification summary | 100% (136 / 136) |
| GHS notification summary | 100% (136 / 136) |
|---|
This chemical does not meet GHS hazard criteria for 100% (136 of 136) of all reports.
Reported as not meeting GHS hazard criteria by 136 of 136 companies. For more detailed information, please visit ECHA C&L website.
2-Methylbutyl isovalerate; 2-Methylbutyl 3-methylbutanoate; 2445-77-4; 2-Methylbutyl isopentanoate; Isovaleric acid, 2-methylbutyl ester; Butanoic acid, 3-methyl-, 2-methylbutyl ester; 2-Methylbutyl isovalerianate; FEMA No. 3506; DTXSID4041440; 7G5TZ5034W; DTXCID2021440; RefChem:88278; 219-496-7; MFCD00209537; 2-methylbutylisovalerate; Fema3506
CAS 2445-77-4; molecular formula C10H20O2; molecular weight 172.15 g/mol.
2-Methylbutyl isovalerate, 2-Methylbutyl 3-methylbutanoate, 2445-77-4, 2-Methylbutyl isopentanoate, Isovaleric acid, 2-methylbutyl ester, Butanoic acid, 3-methyl-, 2-methylbutyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (136 of 136).
Boiling Point: 191.00 to 195.00 °C. @ 760.00 mm Hg; Boiling Point: 113-115 °C; Density: 0.852-0.857; Refractive Index: 1.394.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.