Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
솔케탈
솔케탈 · 아이소프로필리덴글리세롤 · (2,2-다이메틸-1,3-다이옥솔란-4-일)메탄올 · 2,2-다이메틸-1,3-다이옥솔란-4-일메탄올 · 2,2-다이메틸-1,3-다이옥솔레인-4-메탄올 · 4-하이드록시메틸-2,2-다이메틸-1,3-다이옥솔란 · 글리세롤 다이메틸케톤 · 글리세린 아세톤 케탈
식별자 및 물리적 특성
| CAS No. | 100-79-8 |
|---|---|
| 분자식 | C6H12O3 |
| 평균 분자량 | 132.16 g/mol |
| 단동위원소 질량 | 132.07864424 g/mol |
| SMILES | CC1(C)OCC(CO)O1 |
| InChIKey | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| PubChem CID | 7528 |
| ChEMBL | CHEMBL3342436 |
| EC No. | 202-888-7 |
| DTXSID | DTXSID9021845 |
| 현지명 | 솔케탈 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 100 |
| 물질 분류 | Industrial compound |
| Solvents | Solvents -> Other Solvents |
| 향료 | Fragrance Ingredient (1,3-Dioxolane-4-methanol, 2,2-dimethyl) -> IFRA transparency List |
| 밀도 | Relative density (water = 1): 1.061.065 @25 °C1.066 g/mL at 20 °C(lit.) |
| 용해도 | Solubility in water: miscible172g/l 가용성 |
| 인화점 | 80 °C c.c.176 °F |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| 끓는 점 | 188-189 °C75 °C @760 [mm Hg]189-191 °C |
| 녹는점 | -26.4 °C-27℃ |
| 증기 밀도 | Relative vapor density (air = 1): 4.6 |
| 증기압 | 107.0 [mmHg]70 [mm Hg] @20 °C34Pa at 20℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| 굴절률 | n20/D 1.434 |
| 저장 조건 | Sealed in dry,2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 14.20±0.10(Predicted) |
| 색상 | 무색의 |
| pH | 4.0-7.5 (H2O) |
| 용해도 | 혼용 가능 |
| Merck | 14,5213 |
| BRN | 104465 |
| 화장품 원료 기능 | 헤어 컨디셔닝 |
| InChI | 1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3 |
| InChIKey | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| SMILES | CC1(C)OCC(CO)O1 |
| LogP(분배 계수) | 0.3 at 20℃ |
| NIST | 1,3-Dioxolane-4-methanol, 2,2-dimethyl-(100-79-8) |
| EPA | 1,3-Dioxolane-4-methanol, 2,2-dimethyl- (100-79-8) |
화학적 성질
clear colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2% (7 of 353) of reports.WarningH315 (14.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 353 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,3-Dioxolane-4-methanol, 2,2-dimethyl-1,3-Dioxolane-4-methanol, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Dioxolane-4-methanol, 2,2-dimethyl- 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: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12258Isopropylidene glycerol: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Combustible. Above 80 °C explosive vapour/air mixtures may be formed. |
| 유해성 요약 | An eye irritantCauses change in heart rate and blood pressure in intravenous lethal-dose studies of rats and rabbits[RTECS] An eye irritant[ICSC] May cause irritation[Alfa Aesar MSDS] See 1,3-Dioxolane. |
| EPA Safer Chemical | Chemical: 2,2-dimethyl-1,3-Dioxolane-4-methanol |
| Chemical Dangers | Reacts with oxidants. |
| Hazard Classes and Categories | Skin Irrit. 2 (14.7%) |
| 소화 | Use water spray, alcohol-resistant foam, carbon dioxide. |
| 응급 조치 | Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. |
| 안전 보관 | Separated from strong oxidants. Ventilation along the floor. |
| 누출 처리 | Collect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames. Above 80 °C use a closed system and ventilation. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT GENERATION OF MISTS! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation. |
| Effects of Short Term Exposure | The substance is irritating to the eyes. |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 노출 경로 | The substance can be absorbed into the body by inhalation of its aerosol. |
| Signs and Symptoms | Redness. |
| ICSC Environmental Data | Environmental effects from the substance have not been investigated adequately. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | JI0400000 |
| 독성 | LD50 in rats (g/kg): 7 orally3 i.p. (Perez) |
| 관세 코드 | 29329970 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25-36-26 |
| 기존화학 물질 | KE-11341 |
| F 고인화성물질 | 10 |
| 위험 등급 | Eye Irrit. 2Repr. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Solketal is useful for synthesis of mono-, di- and triglycerides. It is used as the starting reagent for synthesis of tulipaline derivatives. It acts as a fuel additive in gasoline. It is an inhibitor of Methyl ethyl ketone .
일반 설명
DL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid.