2,3-Heptanedione (CAS 96-04-8) — formula C7H12O2, molecular weight 128.08 g/mol; category organic chemicals.
2,3-Heptanedione is a carbon-based organic compound with CAS registry number 96-04-8 and molecular formula C7H12O2 (molecular weight 128.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96-04-8
Its molecular formula C7H12O2 comprises 7 C, 12 H, 2 O atoms.
Also known as: 2,3-Heptanedione · Acetylvaleryl
Category: organic chemicals
The CAS registry number of 2,3-Heptanedione is 96-04-8.
Molecular formula C7H12O2, molecular weight 128.08 g/mol.
It is also registered under: 2,3-Heptanedione, Acetylvaleryl.
Category: Organic Chemicals.
Public-database records for 2,3-Heptanedione (CAS 96-04-8), reproduced here for independent cross-checking.
| 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]
| 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 |
|---|
| 沸点 | 64.00 °C. @ 18.00 mm Hg |
|---|---|
| 沸点 | 62 °C (20 mm Hg) |
| 密度 | 0.917-0.923 |
| 折射率 | 1.413-1.416 |
| CAS Registry Number | 96-04-8 |
|---|---|
| PubChem CID | 60983 |
| 分子式 | C7H12O2 |
| 分子量 | 128.08 g/mol |
| IUPAC 名称 | heptane-2,3-dione |
| InChIKey | FJPGAMCQJNLTJC-UHFFFAOYSA-N |
| UNII（FDA） | DK55DDE86P |
| ChEBI 编号 | CHEBI:88623 |
| FEMA 编号 | 2543 |
| JECFA 编号 | 415 |
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
| 分子量 | 128.17 |
|---|---|
| XLogP3 | 1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 128.083729621 |
| 单同位素质量 | 128.083729621 |
| 拓扑极性表面积 | 34.1 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
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. 沸点: 64.00 °C. @ 18.00 mm Hg; 沸点: 62 °C (20 mm Hg); 密度: 0.917-0.923.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.