4-甲基戊酸，CAS 登记号 646-07-1，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。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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本页已列出 4-甲基戊酸 的 CAS 号：646-07-1，可与随货 COA 核对。
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Isohexanoic acid is identified by CAS 646-07-1, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII 4G4U8JA28T; ChEBI 74903; InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N. Boiling Point: 199.00 to 201.00 °C. @ 760.00 mm Hg; Boiling Point: 199-201 °C; Melting Point: -33 °C.
| CAS Registry Number | 646-07-1 |
|---|---|
| PubChem CID | 12587 |
| Molecular formula | C6H12O2 |
| Molecular weight | 116.08 g/mol |
| IUPAC name | 4-methylpentanoic acid |
| InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| UNII (FDA) | 4G4U8JA28T |
| ChEBI ID | CHEBI:74903 |
| FEMA number | 3463 |
| JECFA number | 264 |
| Molecular Weight | 116.16 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.083729621 |
| Monoisotopic Mass | 116.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Boiling Point | 199.00 to 201.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 199-201 °C |
| Melting Point | -33 °C |
| Density | 0.919-0.926 |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | 1.412-1.417 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1591) |
| GHS notification summary | 0.1% (1 / 1591) |
|---|---|
| Reported hazard statements | H311 (98%), H314 (96.5%), H318 (86%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1591) of reports.
H311 (98%): Toxic in contact with skin [Danger Acute toxicity, dermal]
4-Methylvaleric acid; 4-METHYLPENTANOIC ACID; Isocaproic acid; 646-07-1; Isohexanoic acid; Pentanoic acid, 4-methyl-; Isobutylacetic acid; Valeric acid, 4-methyl-; FEMA No. 3463; 4G4U8JA28T; NSC-4126; DTXSID8060951; CHEBI:74903; RefChem:791685; DTXCID7044342; 211-464-0
CAS 646-07-1; molecular formula C6H12O2; molecular weight 116.08 g/mol.
4-Methylvaleric acid, 4-METHYLPENTANOIC ACID, Isocaproic acid, 646-07-1, Isohexanoic acid, Pentanoic acid, 4-methyl-.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (1 of 1591).
Boiling Point: 199.00 to 201.00 °C. @ 760.00 mm Hg; Boiling Point: 199-201 °C; Melting Point: -33 °C; Density: 0.919-0.926.
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.