2- 甲基丁酸 2- 甲基丁酯，CAS 登记号 2445-78-5，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 2-methylbutyrate is identified by CAS 2445-78-5, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII HYC739X7BP; ChEBI 179543; InChIKey PVYFCGRBIREQLL-UHFFFAOYSA-N. Boiling Point: 70.00 to 72.00 °C. @ 11.00 mm Hg; Boiling Point: 184-187 °C; Density: 0.854-0.864.
| CAS Registry Number | 2445-78-5 |
|---|---|
| PubChem CID | 17129 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 2-methylbutyl 2-methylbutanoate |
| InChIKey | PVYFCGRBIREQLL-UHFFFAOYSA-N |
| UNII (FDA) | HYC739X7BP |
| ChEBI ID | CHEBI:179543 |
| FEMA number | 3359 |
| JECFA number | 212 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.2 |
| 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 | 70.00 to 72.00 °C. @ 11.00 mm Hg |
|---|---|
| Boiling Point | 184-187 °C |
| Density | 0.854-0.864 |
| Refractive Index | 1.409-1.509 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple, Berry, Rum No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 7.2% (12 / 167) |
| GHS notification summary | 7.2% (12 / 167) |
|---|---|
| Reported hazard statements | H411 (92.8%) |
This chemical does not meet GHS hazard criteria for 7.2% (12 of 167) of reports.
H411 (92.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
2-METHYLBUTYL 2-METHYLBUTYRATE; 2-Methylbutyl 2-methylbutanoate; Butanoic acid, 2-methyl-, 2-methylbutyl ester; FEMA No. 3359; UNII-HYC739X7BP; HYC739X7BP; 2-methyl butyl 2-methyl butyrate; EINECS 219-497-2; 2-Methylbutanoic acid 2-methylbutyl ester; 2-methylbutanoic acid 2-methyl butyl ester; FEMA 3359; DTXSID40862947; 2-Methyl buthyl 2-methyl butanoate; 2-METHYLBUTYL 2-METHYLBUTYRATE [FHFI]; 2-METHYL BUTANOIC ACID-2-METHYL BUTYL ESTER; RefChem:88272
CAS 2445-78-5; molecular formula C10H20O2; molecular weight 172.15 g/mol.
2-METHYLBUTYL 2-METHYLBUTYRATE, 2-Methylbutyl 2-methylbutanoate, Butanoic acid, 2-methyl-, 2-methylbutyl ester, FEMA No. 3359, UNII-HYC739X7BP, HYC739X7BP.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
7.2% of GHS notifications report no hazard classification (12 of 167).
Boiling Point: 70.00 to 72.00 °C. @ 11.00 mm Hg; Boiling Point: 184-187 °C; Density: 0.854-0.864; Refractive Index: 1.409-1.509.
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.