Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리메틸롤프로판
2-에틸-2하이드록시메틸-1,3-프로판디올 · 트리메틸롤프로판 · 트리메틸올프로판 · 트라이메틸올프로판 · 1,1,1-트리(히드록시메틸)프로판 · 1,1,1-트리메틸올프로판 · 1,1,1-트리스(히드록시메틸)프로판 · 2-에틸-2-(히드록시메틸)-1,3-프로판디올
식별자 및 물리적 특성
| CAS No. | 77-99-6 |
|---|---|
| 분자식 | C6H14O3 |
| 평균 분자량 | 134.17 g/mol |
| 단동위원소 질량 | 134.09429431 g/mol |
| SMILES | CCC(CO)(CO)CO |
| InChIKey | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| PubChem CID | 6510 |
| ChEMBL | CHEMBL3185136 |
| ChEBI | CHEBI:183310 |
| EC No. | 201-074-9 |
| DTXSID | DTXSID2026448 |
| 현지명 | 트리메틸롤프로판 |
화학 및 물리적 성질
| XLogP | -0.8 |
|---|---|
| 극성 표면적 | 60.7 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 60.4 |
| Polymers | Other Classes -> Alcohols and Polyols, OtherPlastics -> Heat stabilisersPlastics -> N.a. |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | -0.5 |
| 밀도 | 1.084 g/cm³1.176 |
| Color/Form | WHITE POWDER OR PLATESCOLORLESS CRYSTALS |
| 용해도 | SOL IN ALL PROP IN WATER, ALCOHOLINSOL IN BENZENE, CARBON TETRACHLORIDESolubility in water at 20 °C: miscibleH2O: 0.1 g/mL, 투명 |
| 인화점 | 172 °C c.c. |
| 끓는 점 | 160 °C @ 5 MM HG292-297 °C159-161 °C2 mm Hg(lit.) |
| 녹는점 | 58 °C56-58 °C(lit.) |
| 증기 밀도 | Relative vapor density (air = 1): 4.634.8 (vs air) |
| 증기압 | 0.0000449 [mmHg]<1 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| 굴절률 | 1.4850 (estimate) |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 14.01±0.10(Predicted) |
| 물리적 상태 | 플레이크 |
| 색상 | 하얀색 |
| pH | 6.5 (100g/l, H2O, 20℃)(External MSDS) |
| 폭발한계 | 2-11.8%(V) |
| 용해도 | 녹는 |
| BRN | 1698309 |
| 헨리 상수 | 1.2×106 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 화장품 원료 기능 | 보습제용제 |
| InChI | 1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 |
| InChIKey | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| SMILES | CCC(CO)(CO)CO |
| LogP(분배 계수) | -0.975 (est) |
| NIST | 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6) |
| EPA | Trimethylolpropane (77-99-6) |
화학적 성질
Trimethylolpropane is a Colorless, hygroscopic crystals. Soluble in water and alcohol. Combustible.The three primary hydroxyl groups undergo the normal OH group reactions.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 94% (4784 of 5087) of all reports.Not ClassifiedAggregated GHS information provided per 5087 reports by companies from 12 notifications to the ECHA C&L Inventory.DangerH360: May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15407Trimethylolpropane: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-: Human health tier I assessment |
| 화재 위험 | Combustible. Finely dispersed particles form explosive mixtures in air. |
| 유해성 요약 | Causes somnolence and respiratory depression in lethal-dose feeding studies of rats and mice[RTECS] An eye and respiratory tract irritant[ICSC] May cause irritation[MSDSonline] |
| Chemical Dangers | Reacts violently with strong oxidants. |
| Hazard Classes and Categories | Not ClassifiedReproductive toxicity - Category 1B |
| Explosive Limits and Potential | Explosive limits , vol% in air: 2.0-11.8 |
| 소화 | Use water spray, powder, alcohol-resistant foam, carbon dioxide. |
| 응급 조치 | Fresh air, rest.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. |
| 안전 보관 | Separated from strong oxidants. Dry. Well closed. |
| 누출 처리 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. Wash away remainder with plenty of water. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. |
| Inhalation Risk | A nuisance-causing concentration of airborne particles can be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| Effects of Short Term Exposure | May cause mechanical irritation to the eyes and respiratory tract. |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| Signs and Symptoms | Cough.Redness. |
| Toxicity Data | LC50 (rat) > 850 mg/m3/4h |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TY6470000 |
| 독성 | LD50 orally in Rabbit: > 2500 mg/kg |
| 관세 코드 | 29054100 |
| 안전 문구(S) | 22-24/25 |
| 기존화학 물질 | KE-13838 |
| 자연 발화 온도 | 375 °C DIN 51794 |
| 위험 등급 | Repr. 2 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 77-99-6(Hazardous Substances Data) |
용도
용도
Trimethylolpropane acts as a precursor to alkyd resins, high-gloss coatings and ion exchange resins. It is also employed as a multifunctional monomer utilized for the production of coatings, ethoxylated and propoxylated trimethylolpropane derivatives. Further, it serves as a building block in the polymer industry.