Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아디프산디이소프로필에스테르
다이아이소프로필아디페이트 · 아디프산디이소프로필에스테르 · 다이아이소프로필아디페이트(DIISOPROPYLADIPATE) · 다이아이소프로필 아디페이트 · Diisopropyl hexanedioate · DIPA · betadia · beta dia
식별자 및 물리적 특성
| CAS No. | 6938-94-9 |
|---|---|
| 분자식 | C12H22O4 |
| 평균 분자량 | 230.3 g/mol |
| 단동위원소 질량 | 230.15180918 g/mol |
| SMILES | CC(C)OC(=O)CCCCC(=O)OC(C)C |
| InChIKey | ZDQWESQEGGJUCH-UHFFFAOYSA-N |
| PubChem CID | 23368 |
| ChEMBL | CHEMBL3184058 |
| ChEBI | CHEBI:34711 |
| EC No. | 230-072-0 |
| DTXSID | DTXSID5027641 |
| 현지명 | 아디프산디이소프로필에스테르 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 197 |
| 화장품 | Cosmetic ingredients (Diisopropyl Adipate) -> CIR (Cosmetic Ingredient Review)Emollient |
| SpringerMaterials Properties | Optical coefficient |
| 향료 | Fragrance Ingredient (Diisopropyl adipate) -> IFRA transparency List |
| Plasticizers | Plasticizer |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.963-0.968 (20 °C)0,97 g/cm3 |
| 용해도 | Practically insoluble or insoluble in waterSoluble (in ethanol)1000g/L in organic solvents at 20 ℃ |
| 끓는 점 | 251.00 to 253.00 °C. @ 760.00 mm Hg251-253 °C120 °C |
| 녹는점 | -1 °C-1°C(lit.) |
| 굴절률 | 1.423-1.4271.4220-1.4250 |
| Physical Description | LiquidClear colourless liquidLight alcoholic aroma |
| 증기압 | 0.26-5.946Pa at 20-25℃ |
| FEMA | 4474 | DIISOPROPYL ADIPATE |
| 인화점 | 124 °C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 0[at 20 ℃] |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 0.963~0.970 (20/4℃) |
| 냄새 | 100.00%에서. 순한 에스테르 지방 사워 |
| 향취 유형 | 에스테리 향 |
| 용해도 | 180-500mg/L at 25-26℃ |
| JECFA Number | 1966 |
| 화장품 원료 기능 | 용제피부 컨디셔닝 - 보습제피부 컨디셔닝가소제향기 |
| LogP(분배 계수) | 3.389 at 25℃ |
| NIST | Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9) |
| EPA | Diisopropyl adipate (6938-94-9) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.WarningH315 (10.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 367 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Hexanedioic acid, bis(1-methylethyl) esterHexanedioic acid, 1,6-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(1-methylethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5933Diisopropyl adipate: Does not have an individual approval but may be used under an appropriate group standard |
| EPA Safer Chemical | Chemical: Diisopropyl adipate |
| Hazard Classes and Categories | Skin Irrit. 2 (10.4%) |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AV1575000 |
| 관세 코드 | 29171200 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36/37/39-24/25 |
| 기존화학 물질 | KE-18681 |
용도
용도
diisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.