己二酸二异丙酯（CAS 6938-94-9）：分子式 C12H22O4、分子量 230.30。
| CAS号 | 6938-94-9 |
|---|---|
| 分子式 | C12H22O4 |
| 分子量 | 230.30 |
| 熔点 | -1 °C |
| 沸点 | 251.00 to 253.00 °C. @ 760.00 mm Hg |
| LogP | 2.2 |
| 应用领域 | Uses: CIR ingredient: Diisopropyl Adipate、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:、• Inside the Home、• Personal Care、• Pet Care、U.S. Production: 2020: 75、240 lb、General Manufacturing Information: Not Known or Reasonably Ascertainable、Hexanedioic acid、1、6-bis(1-methylethyl) ester: ACTIVE |
登记用途：Uses: CIR ingredient: Diisopropyl Adipate、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:、• Inside the Home、• Personal Care、• Pet Care、U.S. Production: 2020: 75、240 lb、General Manufacturing Information: Not Known or Reasonably Ascertainable、Hexanedioic acid、1、6-bis(1-methylethyl) ester: ACTIVE。
己二酸二异丙酯 是一种化工化合物，登记 CAS 号为 6938-94-9，分子式 C12H22O4（分子量 230.30）。
登记 CAS 号：6938-94-9
其分子式 C12H22O4 由 12 个碳、22 个氢、4 个氧 组成。
别名/同义词：己二酸二异丙酯 · Diisopropyl adipate
己二酸二异丙酯 的 CAS 登记号为 6938-94-9。
分子式 C12H22O4，分子量 230.30。
别名/同义词：己二酸二异丙酯、Diisopropyl adipate。
登记用途：Uses: CIR ingredient: Diisopropyl Adipate、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:、• Inside the Home、• Personal Care、• Pet Care、U.S. Production: 2020: 75、240 lb、General Manufacturing Information: Not Known or Reasonably Ascertainable、Hexanedioic acid、1、6-bis(1-methylethyl) ester: ACTIVE。
己二酸二异丙酯（CAS 6938-94-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 6938-94-9 |
|---|---|
| PubChem CID | 23368 |
| Molecular formula | C12H22O4 |
| IUPAC name | dipropan-2-yl hexanedioate |
| UNII (FDA) | P7E6YFV72X |
| FEMA number | 4474 |
| JECFA number | 1966 |
| Molecular Weight | 230.30 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 230.15180918 |
| Monoisotopic Mass | 230.15180918 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 16 |
| Boiling Point | 251.00 to 253.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 251-253 °C |
| Melting Point | -1 °C |
| Density | 0.963-0.968 (20 °C) |
| Refractive Index | 1.423-1.427 |
DIISOPROPYL ADIPATE; 6938-94-9; Adipic acid diisopropyl ester; Isopropyl adipate; Ceraphyl 230; Adipic acid, diisopropyl ester; Crodamol DA; Hexanedioic acid, bis(1-methylethyl) ester; Bis(1-methylethyl)hexanedioate; DTXSID5027641; P7E6YFV72X; NSC-56587; Hexanedioic acid, 1,6-bis(1-methylethyl) ester; DTXCID507641; FEMA NO. 4474; RefChem:587896
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Dairy No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/71 |
|---|---|
| GHS notification summary | 88.8% (326 / 367) |
| GHS notification summary | 88.8% (326 / 367) |
|---|---|
| Reported hazard statements | H315 (10.4%) |
This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.
H315 (10.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Diisopropyl adipate · CAS 6938-94-9 · C12H22O4. UNII P7E6YFV72X. Boiling Point: 251.00 to 253.00 °C. @ 760.00 mm Hg; Boiling Point: 251-253 °C; Melting Point: -1 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Diisopropyl adipate