Adipic acid di-n-octyl ester (CAS 123-79-5) — formula C22H42O4, molecular weight 370.6; category organic chemicals.
| CAS Number | 123-79-5 |
|---|---|
| Molecular Formula | C22H42O4 |
| Molecular Weight | 370.6 |
| Melting Point | 7.49 °C (280.65 K) |
| Boiling Point | 396.00 to 398.00 °C. @ 760.00 mm Hg |
| LogP | 7.4 |
| Category | Organic Chemicals |
Adipic acid di-n-octyl ester is a carbon-based organic compound with CAS registry number 123-79-5 and molecular formula C22H42O4 (molecular weight 370.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 123-79-5
Its molecular formula C22H42O4 comprises 22 C, 42 H, 4 O atoms.
Also known as: Adipic acid di-n-octyl ester · 己二酸二辛酯 · Dioctyl adipate (DOA) · DIOCTYL ADIPATE
Category: organic chemicals
The CAS registry number of Adipic acid di-n-octyl ester is 123-79-5.
Molecular formula C22H42O4, molecular weight 370.6.
It is also registered under: Adipic acid di-n-octyl ester, 己二酸二辛酯, Dioctyl adipate (DOA), DIOCTYL ADIPATE.
Category: Organic Chemicals.
Independent reference data for Adipic acid di-n-octyl ester (CAS 123-79-5), compiled from public chemistry databases.
| 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 |
| 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 |
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
| 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 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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己二酸二辛酯 (DOA)