己二酸二辛酯（CAS 123-79-5）：分子式 C22H42O4、分子量 370.6。
| CAS号 | 123-79-5 |
|---|---|
| 分子式 | C22H42O4 |
| 分子量 | 370.6 |
| 熔点 | 7.49 °C (280.65 K) |
| 沸点 | 396.00 to 398.00 °C. @ 760.00 mm Hg |
| LogP | 7.4 |
| 应用领域 | Uses: Used as a low-temperature plasticizer for synthetic rubbers、nitrocellulose、and ethyl cellulose、[HSDB]、PRIMARY TYPE OF PLASTICIZER FOR USE WITH RESINS @ LOW TEMP. ... PLASTICIZER FOR SYNTHETIC RUBBERS、NITROCELLULOSE、& ETHYL CELLULOSE.、It is used as a plasticizer for synthetic rubbers、nitro cellulose and ethyl cellulose.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、Filler、Plasticizer、Intermediate、Solvent、Processing aids not otherwise specified、Consumer Uses: Processing aids not otherwise specified、Not Known or Reasonably Ascertainable、Fragrance、Methods of Manufacturing: ESTERIFICATION OF ADIPIC ACID WITH 1-OCTANOL、ESTER EXCHANGE OF LOWER DIALKYL ADIPATE WITH 1-OCTANOL WITH BASE CATALYSIS、Esterification of adipic acid with octanol.、U.S. Production: 2023: 550、000 - <700、000 lb、2022: 400、000 - <550、2021: 550、000 - <1、000、2020: 400、(1972) 6.08X10+8 G (SALES-INCL DIISOOCTYL)、(1975) PROBABLY GREATER THAN 4.54X10+5 G、U.S. Imports: (1984) 1.60X10+9 g、Products chiefly used as plasticizers、U.S. Exports: (1984) 7.54X10+8 g、Adipic Acid Esters of Monohydric Alcohols、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Hexanedioic acid、1、6-dioctyl ester: ACTIVE、IN FRANCE & ITALY DIOCTYL ADIPATE IS PERMITTED AS A CONSTITUENT OF PLASTICS INTENDED FOR CONTACT WITH FOODSTUFFS.、IN ASSOC WITH PHTHALATES IT CONFERS EXCELLENT COLD RESISTANCE & BETTER FLEXIBILITY @ ALL TEMP TO VINYL RESINS (CHLORIDE、ACETATE-CHLORIDE、POLYVINYLIDENE CHLORIDE). |
登记用途：Uses: Used as a low-temperature plasticizer for synthetic rubbers、nitrocellulose、and ethyl cellulose、[HSDB]、PRIMARY TYPE OF PLASTICIZER FOR USE WITH RESINS @ LOW TEMP. ... PLASTICIZER FOR SYNTHETIC RUBBERS、NITROCELLULOSE、& ETHYL CELLULOSE.、It is used as a plasticizer for synthetic rubbers、nitro cellulose and ethyl cellulose.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、Filler、Plasticizer、Intermediate、Solvent、Processing aids not otherwise specified、Consumer Uses: Processing aids not otherwise specified、Not Known or Reasonably Ascertainable、Fragrance、Methods of Manufacturing: ESTERIFICATION OF ADIPIC ACID WITH 1-OCTANOL、ESTER EXCHANGE OF LOWER DIALKYL ADIPATE WITH 1-OCTANOL WITH BASE CATALYSIS、Esterification of adipic acid with octanol.、U.S. Production: 2023: 550、000 - <700、000 lb、2022: 400、000 - <550、2021: 550、000 - <1、000、2020: 400、(1972) 6.08X10+8 G (SALES-INCL DIISOOCTYL)、(1975) PROBABLY GREATER THAN 4.54X10+5 G、U.S. Imports: (1984) 1.60X10+9 g、Products chiefly used as plasticizers、U.S. Exports: (1984) 7.54X10+8 g、Adipic Acid Esters of Monohydric Alcohols、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Hexanedioic acid、1、6-dioctyl ester: ACTIVE、IN FRANCE & ITALY DIOCTYL ADIPATE IS PERMITTED AS A CONSTITUENT OF PLASTICS INTENDED FOR CONTACT WITH FOODSTUFFS.、IN ASSOC WITH PHTHALATES IT CONFERS EXCELLENT COLD RESISTANCE & BETTER FLEXIBILITY @ ALL TEMP TO VINYL RESINS (CHLORIDE、ACETATE-CHLORIDE、POLYVINYLIDENE CHLORIDE).。
己二酸二辛酯 是一种化工化合物，登记 CAS 号为 123-79-5，分子式 C22H42O4（分子量 370.6）。
登记 CAS 号：123-79-5
其分子式 C22H42O4 由 22 个碳、42 个氢、4 个氧 组成。
别名/同义词：己二酸二辛酯 · Adipic acid di-n-octyl ester · Dioctyl adipate (DOA) · DIOCTYL ADIPATE
己二酸二辛酯 的 CAS 登记号为 123-79-5。
分子式 C22H42O4，分子量 370.6。
别名/同义词：己二酸二辛酯、Adipic acid di-n-octyl ester、Dioctyl adipate (DOA)、DIOCTYL ADIPATE。
登记用途：Uses: Used as a low-temperature plasticizer for synthetic rubbers、nitrocellulose、and ethyl cellulose、[HSDB]、PRIMARY TYPE OF PLASTICIZER FOR USE WITH RESINS @ LOW TEMP. ... PLASTICIZER FOR SYNTHETIC RUBBERS、NITROCELLULOSE、& ETHYL CELLULOSE.、It is used as a plasticizer for synthetic rubbers、nitro cellulose and ethyl cellulose.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Not Known or Reasonably Ascertainable、Filler、Plasticizer、Intermediate、Solvent、Processing aids not otherwise specified、Consumer Uses: Processing aids not otherwise specified、Not Known or Reasonably Ascertainable、Fragrance、Methods of Manufacturing: ESTERIFICATION OF ADIPIC ACID WITH 1-OCTANOL、ESTER EXCHANGE OF LOWER DIALKYL ADIPATE WITH 1-OCTANOL WITH BASE CATALYSIS、Esterification of adipic acid with octanol.、U.S. Production: 2023: 550、000 - <700、000 lb、2022: 400、000 - <550、2021: 550、000 - <1、000、2020: 400、(1972) 6.08X10+8 G (SALES-INCL DIISOOCTYL)、(1975) PROBABLY GREATER THAN 4.54X10+5 G、U.S. Imports: (1984) 1.60X10+9 g、Products chiefly used as plasticizers、U.S. Exports: (1984) 7.54X10+8 g、Adipic Acid Esters of Monohydric Alcohols、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Hexanedioic acid、1、6-dioctyl ester: ACTIVE、IN FRANCE & ITALY DIOCTYL ADIPATE IS PERMITTED AS A CONSTITUENT OF PLASTICS INTENDED FOR CONTACT WITH FOODSTUFFS.、IN ASSOC WITH PHTHALATES IT CONFERS EXCELLENT COLD RESISTANCE & BETTER FLEXIBILITY @ ALL TEMP TO VINYL RESINS (CHLORIDE、ACETATE-CHLORIDE、POLYVINYLIDENE CHLORIDE).。
己二酸二辛酯（CAS 123-79-5）的独立参考数据，整理自公开化学数据库。
| 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).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Adipic acid di-n-octyl ester