카프릴릴글라이콜
카프릴릴글라이콜 · CAPRYLYL GLYCOL · Octane-1,2-diol · 1,2-DIHYDROXYOCTANE · R,S-Octane-1,2-diol · octane-1, · 1,2-Octandiol · Octan-1,2-diol
식별자 및 물리적 특성
| CAS No. | 1117-86-8 |
|---|---|
| 분자식 | C8H18O2 |
| 평균 분자량 | 146.23 g/mol |
| 단동위원소 질량 | 146.13067982 g/mol |
| SMILES | CCCCCCC(O)CO |
| InChIKey | AEIJTFQOBWATKX-UHFFFAOYSA-N |
| PubChem CID | 14231 |
| ChEMBL | CHEMBL3186864 |
| ChEBI | CHEBI:34056 |
| EC No. | 214-254-7 |
| DTXSID | DTXSID9036646 |
| 현지명 | 카프릴릴글라이콜 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 64.3 |
| 지질 | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| 화장품 | Cosmetic ingredients (Caprylyl Glycol) -> CIR (Cosmetic Ingredient Review)Hair conditioningHumectantEmollient |
| 향료 | Fragrance Ingredient (1,2-Octanediol) -> IFRA transparency List |
| Physical Description | LiquidWhite solidmp = 30-35 deg C[CBW MSDS] |
| 녹는점 | 36-38 °C (lit.) |
| 끓는 점 | 131-132 °C/10 mmHg (lit.) |
| 밀도 | 0.914 |
| 증기 밀도 | >1 (vs air) |
| 증기압 | 0.28Pa at 25℃ |
| 굴절률 | 1.4505 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 3g/L(20°C) |
| 물리적 상태 | 저융점 고체 |
| pKa(산도 계수) | 14.60±0.10(Predicted) |
| 색상 | 무색~백색 |
| 용해도 | 3g/L(20℃) |
| BRN | 1719619 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제탈취제헤어 컨디셔닝피부 컨디셔닝 |
| LogP(분배 계수) | 2.1 at 25℃ |
| NIST | 1,2-Octanediol(1117-86-8) |
| EPA | 1,2-Octanediol (1117-86-8) |
화학적 성질
colorless to white low melting solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 15.9% (77 of 485) of reports.WarningH319 (82.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 485 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,2-Octanediol1,2-Octanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Octanediol 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/141201,2-Octanediol: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A severe eye irritant that may cause serious injury[CBW MSDS] See 2-Octanol. |
| EPA Safer Chemical | Chemical: Caprylyl glycol |
| Hazard Classes and Categories | Eye Irrit. 2 (82.9%) |
| 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 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29053990 |
| 위험 문구(R) | 36 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26-24/25 |
| 위험 등급 | IRRITANT |
| 기존화학 물질 | KE-26617 |
용도
용도
caprylyl glycol (1,2-Octanediol) is an emollient with moisturizing properties that may also be used as a cosmetic stabilizer. When found in combination with phenoxyethanol these two ingredients work together as an anti-microbial.
용도
Researchers used 1,2-octanediol (1,2-OcD) as a model substrate for the development of catalyst WOx-Pd/rutile TiO2 for the one-pot production of dialkyl ether (dioctyl ether (OE) from 1,2-OcD) from diol by hydrodeoxygenation[1].
일반 설명
1,2-Octanediol is a potential pediculicide and is useful for treating head louse infestation clinically.
제조 및 합성 방법
생산 방법
1,2-octanediol could be obtained by epoxidation of 1-olefin with performic acid, a reaction product of hydrogen peroxide and formic acid, hydroxylation with water, or transesterification of ester produced by side reaction with methanol.