헥실렌글리콜
헥실렌글리콜 · 헥실렌글라이콜 · 2-메틸-2,4-펜탄디올 · 2,4-디하이드록시-2-메틸펜탄 · 1,2-헥산디올 · 2-메틸-2,4-펜탄다이올 · 2-메틸-2,4-펜타네다이올 · HEXYLENE GLYCOL
식별자 및 물리적 특성
| CAS No. | 107-41-5 |
|---|---|
| 분자식 | C6H14O2 |
| 평균 분자량 | 118.17 g/mol |
| 단동위원소 질량 | 118.09937969 g/mol |
| SMILES | CC(O)CC(C)(C)O |
| InChIKey | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| PubChem CID | 7870 |
| ChEMBL | CHEMBL2104293 |
| ChEBI | CHEBI:62995 |
| EC No. | 203-489-0 |
| DTXSID | DTXSID5021885 |
| 현지명 | 헥실렌글리콜 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 68 |
| LogP(분배 계수) | 0.58 |
| 냄새 | Mild sweetishATMOSPHERES ESSENTIALLY SATURATED AT ROOM TEMP ARE DETECTABLE BY ODOR...Mild, sweetish odor암모니아와 비슷합니다. |
| 밀도 | 0.923 at 68 °F (USCG, 1999) - Less dense than waterwill float0.923 g/cu cm at 15 °CBulk density 7.69 lb/galDensity = 0.92109 at 20 °C0.9181 at 25 °CRelative density (water = 1): 0.920.925 g/mL at 25 °C (lit.) |
| Viscosity | 34 cP at 20 °C |
| Color/Form | LiquidColorless liquid |
| 용해도 | Miscible (NIOSH, 2024)Miscible with waterSoluble in alcohol, ether, lower aliphatic hydrocarbonsSoluble in ethanol, ethyl etherslightly soluble in carbon tetrachlorideMiscible with fatty acidsSolubility in water: miscibleH2O: 1 M at 20 °C, 투명, 무색 |
| 인화점 | 200 °F (USCG, 1999)93 °C, closed cup93 degree C (closed cup)205 °F (96 °C) (Open cup)96 °C o.c.209 °F201 °F |
| 끓는 점 | 387 °F at 760 mmHg (USCG, 1999)198 °C at 760 mm Hg388 °F197.1 °C @760 [mm Hg]197 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| 녹는점 | -58 °F (USCG, 1999)Freezing point = -50 °C (glass or vitreous condition)Heat of fusion at melting point = 1.48X10+7 J/kmol-58 °F (sets to glass)-40 °C (lit.) |
| 증기 밀도 | Relative vapor density (air = 1): 4.14.1 (vs air) |
| 후각 역치 | Odor Threshold Low: 3.93 [ppm]Odor threshold of 3.93 reported |
| 증기압 | 0.02 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.427(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 약간 점성이 있는 액체 |
| pKa(산도 계수) | 15.10±0.29(Predicted) |
| 색상 | 투명한 |
| pH | 6-8 (25℃, 1M in H2O) |
| 생물학적 소스 | synthetic |
| 폭발한계 | 1-9.9%(V) |
| 용해도 | 녹는 |
| 비열 | Cp(liquid): 2.84 J/(g·K), at 25℃ |
| Merck | 14,4710 |
| BRN | 1098298 |
| 헨리 상수 | 2.5×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| 유전율 | 24.399999999999999 |
| 안정성 | 안정적인. 강한 산화제, 강산, 강한 환원제와 호환되지 않습니다. |
| 화장품 원료 기능 | 계면활성제 - 유화제용제피부 컨디셔닝향수계면활성제 - 세정 |
| InChI | 1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| SMILES | CC(O)CC(C)(C)O |
| LogP(분배 계수) | 0 at 20℃ |
| NIST | 2,4-Pentanediol, 2-methyl-(107-41-5) |
| EPA | Hexylene glycol (107-41-5) |
화학적 성질
Hexylene Glycol is an oily colorless liquid with a mild sweet odor. It is an oxygenated solvent derived from acetone which has two alcohol functions. It has a low evaporation rate and it is completely miscible with water.
안전 및 규제
| GHS 분류 | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 5235) of reports. |
|---|---|
| 규제 정보 | Chemical: 2,4-Pentanediol, 2-methyl-Chemical: C.I. Acid Red 2992,4-Pentanediol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Pentanediol, 2-methyl- 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: 28-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14212Hexylene glycol: Does not have an individual approval but may be used under an appropriate group standardC.I. Acid Red 299: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 화재 위험 | Combustible. Above 96 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Combustible.Combustile when exposed to heat or flame. |
| 건강 유해성 | Irritation of eyes, nose and throatheadache, dizziness, and nausea. (USCG, 1999) |
| 유해성 요약 | At 1000 ppm for 5 minutes, human subjects complain of eye, throat, and respiratory irritation. Oral dosing causes central nervous system depression in experimental animals. Limited animal and human data suggesting a potential for skin sensitization were insufficient to support a DSEN notation. [ACGIH] Allergic contact dermatitis may occur[Reference #1] A skin, eye, and respiratory tract irritant[ICSC] |
| 반응성 그룹 | Alcohols and Polyols |
| EC 분류 | Symbol: XiR: 36/38S: (2) |
| Special Reports |
용도
용도
(^+)-2-Methyl-2,4-pentanediol is used to control the flow properties of industrial products such as paints, coatings, cleansers, solvents, and hydraulic fluids. It acts as a thickening agent in cosmetic products. It serves as a coupling agent and an additive to hydraulic fluids, inks and cement. It is also employed as a blood volume expander. Further, it is used as a solvent for cleaning and colorant products. In addition to this, it is used in laboratory studies as a precipitant and cryoprotectant in protein crystallography.
일반 설명
Oily colorless liquid with a mild sweet odor. Floats and mixes slowly with water.
제조 및 합성 방법
생산 방법
2-Methyl-2,4-pentanediol is prepared commercially by the catalytic hydrogenation of diacetone alcohol . It is used as a chemical intermediate, a selective solvent in petroleum refining, a component of hydraulic fluids, a solvent for inks, and as an additive for cement . Industrial exposure is likely to be from direct contact or from inhalation, particularly if the material is heated.