2,3-庚二酮，CAS 登记号 96-04-8，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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2,3-Heptanedione is identified by CAS 96-04-8, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII DK55DDE86P; ChEBI 88623; InChIKey FJPGAMCQJNLTJC-UHFFFAOYSA-N. Boiling Point: 64.00 °C. @ 18.00 mm Hg; Boiling Point: 62 °C (20 mm Hg); Density: 0.917-0.923.
| CAS Registry Number | 96-04-8 |
|---|---|
| PubChem CID | 60983 |
| Molecular formula | C7H12O2 |
| Molecular weight | 128.08 g/mol |
| IUPAC name | heptane-2,3-dione |
| InChIKey | FJPGAMCQJNLTJC-UHFFFAOYSA-N |
| UNII (FDA) | DK55DDE86P |
| ChEBI ID | CHEBI:88623 |
| FEMA number | 2543 |
| JECFA number | 415 |
| Molecular Weight | 128.17 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.083729621 |
| Monoisotopic Mass | 128.083729621 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Boiling Point | 64.00 °C. @ 18.00 mm Hg |
|---|---|
| Boiling Point | 62 °C (20 mm Hg) |
| Density | 0.917-0.923 |
| Refractive Index | 1.413-1.416 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H317 (90.2%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H317 (90.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
2,3-HEPTANEDIONE; 96-04-8; Heptane-2,3-dione; Acetyl valeryl; Valerylacetyl; Acetyl pentanoyl; FEMA No. 2543; DK55DDE86P; EINECS 202-472-5; NSC 31668; NSC-31668; DTXSID4059128; 2,3-HEPTANDIONE [FCC]; 2,3-HEPTANEDIONE [FHFI]; 2,3-HEPTANDIONE; RefChem:442606
CAS 96-04-8; molecular formula C7H12O2; molecular weight 128.08 g/mol.
2,3-HEPTANEDIONE, 96-04-8, Heptane-2,3-dione, Acetyl valeryl, Valerylacetyl, Acetyl pentanoyl.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H226, H317.
Boiling Point: 64.00 °C. @ 18.00 mm Hg; Boiling Point: 62 °C (20 mm Hg); Density: 0.917-0.923; Refractive Index: 1.413-1.416.
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.