1-Octen-3-ylbutyrate，CAS 登记号 16491-54-6，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Organic Chemicals。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 1-Octen-3-ylbutyrate 的 CAS 号：16491-54-6，可与随货 COA 核对。
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1-Octen-3-yl butyrate is identified by CAS 16491-54-6, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII H8J989X4KJ; ChEBI 169568; InChIKey LZWFXVJBIZIHCH-UHFFFAOYSA-N. Boiling Point: 225.00 to 227.00 °C. @ 760.00 mm Hg; Boiling Point: 80-81 °C (3.5 mm Hg); Density: 0.870-0.879.
| CAS Registry Number | 16491-54-6 |
|---|---|
| PubChem CID | 27892 |
| Molecular formula | C12H22O2 |
| Molecular weight | 198.16 g/mol |
| IUPAC name | oct-1-en-3-yl butanoate |
| InChIKey | LZWFXVJBIZIHCH-UHFFFAOYSA-N |
| UNII (FDA) | H8J989X4KJ |
| ChEBI ID | CHEBI:169568 |
| FEMA number | 3612 |
| JECFA number | 1837 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Boiling Point | 225.00 to 227.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 80-81 °C (3.5 mm Hg) |
| Density | 0.870-0.879 |
| Refractive Index | 1.423-1.428 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/93 ">FAS 60-JECFA 69/622 |
|---|---|
| GHS notification summary | 100% (1422 / 1422) |
| GHS notification summary | 100% (1422 / 1422) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1422 of 1422) of all reports.
Reported as not meeting GHS hazard criteria by 1422 of 1422 companies. For more detailed information, please visit ECHA C&L website.
1-Octen-3-yl butyrate; 16491-54-6; 1-Pentylallyl butyrate; 1-Vinylhexyl butyrate; Butanoic acid, 1-ethenylhexyl ester; Butyric acid, 1-pentylallyl ester; FEMA No. 3612; BUTYRIC ACID, 1-VINYLHEXYL ESTER; H8J989X4KJ; DTXSID80864682; RefChem:1056141; DTXCID80813170; 240-555-8; oct-1-en-3-yl butanoate; 1-Ethenylhexyl butanoate; 1-Octen-3-ol butyrate
CAS 16491-54-6; molecular formula C12H22O2; molecular weight 198.16 g/mol.
1-Octen-3-yl butyrate, 16491-54-6, 1-Pentylallyl butyrate, 1-Vinylhexyl butyrate, Butanoic acid, 1-ethenylhexyl ester, Butyric acid, 1-pentylallyl 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 (1422 of 1422).
Boiling Point: 225.00 to 227.00 °C. @ 760.00 mm Hg; Boiling Point: 80-81 °C (3.5 mm Hg); Density: 0.870-0.879; Refractive Index: 1.423-1.428.
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.