己二酸二辛酯 (DOA)，CAS 登记号 123-79-5，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，下游主要用于特种化学品。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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DIOCTYL ADIPATE is identified by CAS 123-79-5, molecular formula C22H42O4 and molecular weight 370.31 g/mol. UNII 2BD76YG9SI; ChEBI 168986; InChIKey NEHDRDVHPTWWFG-UHFFFAOYSA-N. Boiling Point: 396.00 to 398.00 °C. @ 760.00 mm Hg; Boiling Point: 396-398 °C; Melting Point: 7.49 °C (280.65 K).
| CAS Registry Number | 123-79-5 |
|---|---|
| PubChem CID | 31271 |
| Molecular formula | C22H42O4 |
| Molecular weight | 370.31 g/mol |
| IUPAC name | dioctyl hexanedioate |
| InChIKey | NEHDRDVHPTWWFG-UHFFFAOYSA-N |
| UNII (FDA) | 2BD76YG9SI |
| ChEBI ID | CHEBI:168986 |
| FEMA number | 4476 |
| JECFA number | 1968 |
| Molecular Weight | 370.6 |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 21 |
| Exact Mass | 370.30830982 |
| Monoisotopic Mass | 370.30830982 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Boiling Point | 396.00 to 398.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 396-398 °C |
| Melting Point | 7.49 °C (280.65 K) |
| Melting Point | 9.5 - 9.8 °C |
| Solubility | In water, 0.78 mg/l @ 22 °C |
| Solubility | 0.78 mg/L @ 22 °C (exp) |
| Density | 1.2145X10+8 kmol/cu m @ 7.49 °C (280.65 K) |
| Density | 0.924-0.930 (20 °C) |
| Vapor Pressure | 0.00000085 [mmHg] |
| Vapor Pressure | 8.50X10-7 mm Hg @ 20 °C |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy |
|---|---|
| GHS notification summary | 75.8% (135 / 178) |
| GHS notification summary | 75.8% (135 / 178) |
|---|---|
| Reported hazard statements | H315 (24.2%), H319 (24.2%) |
This chemical does not meet GHS hazard criteria for 75.8% (135 of 178) of all reports.
H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]
Dioctyl adipate; 123-79-5; Dioctyl hexanedioate; Di-n-octyl adipate; Hexanedioic acid, dioctyl ester; Dicaprylyl adipate; Adipic acid, dioctyl ester; 1,6-dioctyl hexanedioate; 2BD76YG9SI; NSC-16201; DTXSID2021606; FEMA NO. 4476; DEHA compound; RefChem:920377; di-2-ethyl-hexyl adipate; DTXCID701606
CAS 123-79-5; molecular formula C22H42O4; molecular weight 370.31 g/mol.
Dioctyl adipate, 123-79-5, Dioctyl hexanedioate, Di-n-octyl adipate, Hexanedioic acid, dioctyl ester, Dicaprylyl adipate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.
75.8% of GHS notifications report no hazard classification (135 of 178).
Boiling Point: 396.00 to 398.00 °C. @ 760.00 mm Hg; Boiling Point: 396-398 °C; Melting Point: 7.49 °C (280.65 K); Melting Point: 9.5 - 9.8 °C.
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.