Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
헥산디올(2.5)
2,5-헥산디올 · 헥산디올(2.5) · 2,5-헥세인다이올 · HEXANEDIOL · hexane-2,5-diol · Diisopropanol · 2,5-HEXANEDIOL · Hexan-2,5-diol
식별자 및 물리적 특성
| CAS No. | 2935-44-6 |
|---|---|
| 분자식 | C6H14O2 |
| 평균 분자량 | 118.17 g/mol |
| 단동위원소 질량 | 118.09937969 g/mol |
| SMILES | CC(O)CCC(C)O |
| InChIKey | OHMBHFSEKCCCBW-UHFFFAOYSA-N |
| PubChem CID | 18049 |
| ChEBI | CHEBI:84894 |
| EC No. | 220-910-3 |
| DTXSID | DTXSID50871000 |
| 현지명 | 헥산디올(2.5) |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 46.5 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Chemical shift |
| LogP(분배 계수) | 0.62 (estimated) |
| 밀도 | Relative density (water = 1): 0.970.961 g/mL at 25 °C (lit.) |
| 용해도 | Solubility in water: freely soluble |
| 인화점 | 101 °C215 °F |
| 끓는 점 | 216 °C216-218 °C (lit.) |
| 녹는점 | 43 °C43°C |
| 증기 밀도 | Relative vapor density (air = 1): 4.1 |
| Physical Description | Colorless liquid[ICSC] Light yellow viscous liquid[Sigma-Aldrich MSDS]COLOURLESS LIQUID. |
| 자연 발화 온도 | 490 °C |
| 굴절률 | n20/D 1.447(lit.) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 14.87±0.20(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Light orange to Yellow |
| 용해도 | 녹는 |
| BRN | 1719248 |
| 헨리 상수 | 1.4×104 mol/(m3Pa) at 25℃, Compernolle and Müller (2014) |
| InChI | 1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3 |
| InChIKey | OHMBHFSEKCCCBW-UHFFFAOYSA-N |
| SMILES | CC(O)CCC(C)O |
| LogP(분배 계수) | -0.060 (est) |
| 표면장력 | 31.9mN/m at 293.15K |
| NIST | 2,5-Hexanediol(2935-44-6) |
| EPA | 2,5-Hexanediol (2935-44-6) |
화학적 성질
clear colorless to light yellow viscous liquid
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2,5-Hexanediol |
| 화재 위험 | Combustible. Risk of fire and explosion on contact with oxidants. |
| 유해성 요약 | Causes parasympathomimetic effects, retinal changes, endocrine changes, changes in thymus and spleen weights, changes in blood cell counts, weight loss, degenerative changes of spinal cord, changes in recordings from peripheral motor nerve, kidney changes, and muscle weakness in repeated-dose oral studies of rats[RTECS] A toxic metabolite of n-hexaneAn eye irritantMay cause immune system effects, leading to dysfunction of the thymus, spleen, and adrenal glandsChronic exposure may cause nerve degeneration of the central and peripheral nervous systems[ICSC] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] |
| Chemical Dangers | Reacts violently with oxidants. This generates fire and explosion hazard. |
| Physical Dangers | The vapour is heavier than air. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 소화 | Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 응급 조치 | Fresh air, rest. Seek medical attention if you feel unwell.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| 안전 보관 | Separated from oxidants. Ventilation along the floor. |
| 누출 처리 | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames. NO contact with oxidizing agents. See Chemical Dangers |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation. |
| Effects of Long Term Exposure | The substance may have effects on the central nervous system and peripheral nervous system. This may result in degeneration of the nerves. |
| Effects of Short Term Exposure | The substance is severely irritating to the eyes. The vapour is irritating to the upper respiratory tract and eyes. The substance may cause effects on the nervous system. This may result in neuropathy. The effects may be delayed. |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 노출 경로 | The substance can be absorbed into the body by ingestion, through the skin and by inhalation. |
| Signs and Symptoms | Sore throat. Cough. Burning sensation behind the breastbone.Redness. Pain. |
| ICSC Environmental Data | Environmental effects from the substance have not been investigated adequately. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MO2275000 |
| 관세 코드 | 29053990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-37/39 |
| 기존화학 물질 | KE-19690 |
| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2,5-Hexanediol is used as an organic chemical synthesis intermediate.