Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸 젖산염
메틸젖산염 · 유산메틸 · 메틸젖산염(METHYLLACTATE) · 메틸락테이트 · 메틸 락테이트 · Methyl 2-hydroxypropanoate · LACTIC ACID METHYL ESTER · Propanoicacid,2-hydroxy-,methylester
식별자 및 물리적 특성
| CAS No. | 2155-30-8 |
|---|---|
| 분자식 | C4H8O3 |
| 평균 분자량 | 104.1 g/mol |
| 단동위원소 질량 | 104.04734412 g/mol |
| SMILES | COC(=O)C(C)O |
| InChIKey | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| PubChem CID | 11040 |
| ChEMBL | CHEMBL3183351 |
| ChEBI | CHEBI:83221 |
| EC No. | 208-930-0 |
| DTXSID | DTXSID0027197 |
| 현지명 | 메틸 젖산염 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 69.3 |
| Solvents | Solvents -> Esters (<C12) |
| 화장품 | Cosmetic ingredients (Methyl Lactate) -> CIR (Cosmetic Ingredient Review) |
| 밀도 | 1.09 at 19 °C/Bulk density/ (wt/gal)= 9 LB @ 68 °F1.093 g/mL at 20 °C(lit.) |
| Viscosity | 2.94 cP at 20 °C |
| Color/Form | Colorless, transparent liquid |
| 용해도 | Miscible in water with decompositionSoluble in alcohol, etherMiscible with most organic solvents |
| 인화점 | 51 °C (124 °F) - closed cup121 °F (49 °C) (closed cup) |
| 끓는 점 | 144-145 °C35 °C (6 mmHg) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| 녹는점 | Freezing Point: approximately -66 °C-66°C |
| 증기 밀도 | 3.6 (Air = 1) |
| 증기압 | 1.85 [mmHg]3.5 mm Hg at 25 °C |
| 굴절률 | n20/D 1.413 |
| 저장 조건 | Flammables area |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 13.07±0.20(Predicted) |
| 색상 | 무색~담황색 투명 |
| 비중 | 1.09 |
| 용해도 | 혼화성, 가수분해 |
| Merck | 14,6094 |
| BRN | 1720586 |
| 헨리 상수 | 9.1×100 mol/(m3Pa) at 25℃, Sanz and Gmehling (2005) |
| 화장품 원료 기능 | 용제향료향수 |
| InChI | 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 |
| InChIKey | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)O |
| LogP(분배 계수) | -0.670 (est) |
| NIST | Propanoic acid, 2-hydroxy-, methyl ester(547-64-8) |
| EPA | Methyl lactate (547-64-8) |
화학적 성질
Methyl lactate is a colorless transparent liquid. It is soluble/miscible in water, acetone, ethyl alcohol, and other organic solvents. It is used as a cellulose acetate solvent.
안전 및 규제
| GHS 분류 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 가능성 | Moderate fire risk. |
| 유해성 요약 | Decomposed by water[Hawley] Mildly irritating[HSDB] An eye and respiratory tract irritant[eChemPortal: ESIS]See ORGANIC SOLVENTS. |
| Flammable Limits | Lower flammable limit: : 2.2% by vol @ 212 °F (100 °C) |
| NFPA Hazard Classification | 1 - Materials that, under emergency conditions, can cause significant irritation.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquid - category 3Flammable liquids - Category 3 |
| Skin, Eye, and Respiratory Irritations | Methyl Lactate was not irritating to guinea pig eyes./Methyl lactate/ dropped into the eyes of rabbits ... was classified as non-irritating. |
| Hazardous Reactivities and Incompatibilities | Incompatible materials: Oxidizing agents, acids, Bases |
| Firefighting Hazards | Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. ... Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. |
| 소화 절차 | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.Use water spray to cool unopened containers.For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT get water inside containers. Do NOT use straight streams of water. |
| 보관 조건 | Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Moisture sensitive. |
| 정리 방법 | ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areasEnvironmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drainsMethods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. |
| 처리 방법 | SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this materialContaminated packaging: Dispose of as unused product. |
| Preventive Measures | Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. |
| Personal Protective Equipment (PPE) | Eye/face protection: Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).Skin protection: Handle with gloves.Body Protection: Impervious clothing. Flame retardant antistatic protective clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). |
| 생태독성 수치 | EC50Species: Daphnia magna (Water flea)Conditions: freshwater, staticConcentration: 780000 ug/L for 48 hr (95% confidence interval: 689000-882000 ug/L)Effect: intoxication, decreased mobility /97% purity/ |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that methyl lactate is expected to have very high mobility in soil(SRC). Volatilization of methyl lactate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 3.5 mm Hg(3), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(4). Methyl lactate is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A 76% of theoretical BOD using activated sludge in a 28-day OECD 301D closed-bottle test indicates methyl lactate is readily biodegradable(5) and suggests that biodegradation is an important environmental fate process in soil(SRC). The lactate ester group of compounds are generally considered to be readily biodegradable(5,6). Hydrolysis may be an important fate process in moist alkaline soils(SRC). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2)this corresponds to half-lives of 68, 6.8 and 0.68 days at pH values of 7, 8 and 9, respectively(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that methyl lactate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 3.5 mm Hg(4), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of -0.67(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 76% of theoretical BOD using activated sludge in a 28-day OECD 301D closed-bottle test indicates methyl lactate acid is readily biodegradable(7) and suggests that biodegradation is an important environmental fate process in water(SRC). The lactate ester group of compounds are generally considered to be readily biodegradable(7,8). Hydrolysis may be an important fate process in alkaline waters(SRC). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2)ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl lactate, which has a vapor pressure of 3.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl lactate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 6 days(SRC), calculated from its rate constant of 2.8X10-12 cu cm/molecule-sec at 25 °C(3). Methyl lactate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 독성 요약 | Based on the available information included in this report, the CIR Expert Panel concludes that Glycolic and Lactic Acid, their common salts and their simple esters, are safe for use in cosmetic products at concentrations less than or equal to 10%, at final formulation pH greater than or equal to 3.5, when formulated to avoid increasing sun sensitivity or when directions for use include the daily use of sun protection. These ingredients are safe for use in salon products at concentrations less than or equal to 30%, at final formulation pH greater than or equal to 3.0, in products designed for brief, discontinuous use followed by thorough rinsing from the skin, when applied by trained professionals, and when application is accompanied by directions for the daily use of sun protection...Methyl Lactate...Safe for use in cosmetics, with qualificationsIDENTIFICATION AND USE: Methyl lactate is a colorless, transparent liquid. It is used as a solvent. HUMAN EXPOSURE AND TOXICITY: There is no data. ANIMAL STUDIES: Methyl Lactate was not irritating to guinea pig and rabbit eyes. The estimated average lethal dose for the female rat following ip injection of laboratory grade methyl lactate was >2000 mg/kg. Observations included narcosis, respiratory distress, and peritoneal adhesions. Hydrolysis of lactate esters to lactic acid and alcohol has been reported to occur after both skin application and oral administration. Lactic acid is a naturally occurring metabolite, and its toxicity is mostly a result of its acidity. |
| Ongoing Test Status | EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPAICSS Dashboard ApplicationAvailable from, as of December 17, 2015: http://actor.epa.gov/dashboard/] |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl lactate can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl lactate is expected to have very high mobility in soil. |
| Artificial Pollution Sources | Methyl lactate's production and use as a solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers and stains(1) as well as an ingredient in some cosmetics(2) and development as a possible "green" solvent(3) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: Methyl lactate, present at 2.04 mg/L, reached 76% of its theoretical BOD in 28 days using an activated sludge inoculum in the OECD 301D Method (Closed Bottle Test) which classified the compound as readily biodegradable(1). The similar compound ethyl lactate was found to be readily biodegradable using the Japanese MITI test(2). The lactate ester group of compounds are generally considered to be readily biodegradable(1,3). |
| Environmental Bioconcentration | An estimated BCF of 3 was calculated in fish for methyl lactate(SRC), using an estimated log Kow of -0.67(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for methyl lactate is estimated as 4.8X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 3.5 mm Hg(1), and an assigned value for water solubility of 1.00X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that methyl lactate is expected to be essentially nonvolatile from water surfaces(3). Methyl lactate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Methyl lactate is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1). |
| Non-Human Toxicity Excerpts | /LABORATORY ANIMALS: Acute Exposure/ Methyl Lactate was not irritating to guinea pig eyes./LABORATORY ANIMALS: Acute Exposure/ Methyl Lactate. The estimated average lethal dose for the female rat (either albino, Wistar, or Glaxo-Wistar) following IP injection of laboratory grade Methyl Lactate was >2000 mg/kg. Observations included /CNS depression/, respiratory distress, and peritoneal adhesions. The estimated maximum nontoxic dose and estimated maximum dose without gross lesions at necropsy was 500 mg/kg./LABORATORY ANIMALS: Acute Exposure/ Lactate esters dropped into the eyes of rabbits caused eye irritation. Tested esters that yielded a positive response were ethyl, n-propyl, n-butyl, lauryl, and myristyl lactate. Methyl lactate, however, was classified as non-irritating. |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of methyl lactate with photochemically-produced hydroxyl radicals has been measured as 2.8X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). Methyl lactate is reported to be miscible in water with decomposition(3). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2)this corresponds to half-lives of 68 and 6.8 days at pH values of 7 and 8, respectively(2). Methyl lactate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | OD5670000 |
| 운송 번호(UN) | UN 3272 3/PG 3 |
| 관세 코드 | 29181100 |
| 위험 문구(R) | 10-36/37 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24-24/25 |
| 포장분류 | III |
| 위험 등급 | 3.2Eye Irrit. 2Flam. Liq. 3STOT SE 3 |
| 기존화학 물질 | KE-24319 |
| F 고인화성물질 | 21 |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 547-64-8(Hazardous Substances Data) |
용도
개요
Methyl lactate is a compound with many uses. It can be used as a solvent, as a starting material for the manufacture of polyiactic acid, or as a starting material for numerous other reactions. For example, it can be used as intermediate in lactic acid purification, and as building block in the synthesis of chiral components, e.g., pesticides, and as a starting material for lactide manufacture.
용도
Methyl lactate is used as a solvent for nitrocellulose, cellulase acetate, cellulase acetobutyrote and cellulase acetaprapionate. It is used in the manufacture of lacquers and dopes where it contributes high tolerance for diluents, good flaw and blush resistance.