Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸-L-젖산염
락트산-L-에틸 · 에틸(S)-(-)-젖산(ETHYL · 락트산에틸 · 에틸(S)-(-)-젖산(ETHYL(S)-(-)-LACTATE) · (-)-에틸 2-하이드록시프로파노에이트 · (2S)-2-하이드록시프로판산, 에틸 에스터 · (S)-2-하이드록시프로피온산 에틸 · (S)-2-하이드록시프로피온산, 에틸 에스터
식별자 및 물리적 특성
| CAS No. | 687-47-8 |
|---|---|
| 분자식 | C5H10O3 |
| 평균 분자량 | 118.13 g/mol |
| 단동위원소 질량 | 118.06299418 g/mol |
| SMILES | CCOC(=O)C(C)O |
| InChIKey | LZCLXQDLBQLTDK-UHFFFAOYSA-N |
| PubChem CID | 7344 |
| ChEMBL | CHEMBL3186323 |
| ChEBI | CHEBI:78321 |
| EC No. | 202-598-0 |
| DTXSID | DTXSID6029127 |
| 현지명 | 에틸-L-젖산염 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 79.7 |
| 물질 분류 | Flammable agents - 2nd degree |
| Solvents | Solvents -> Esters (<C12) |
| 화장품 | Cosmetic ingredients (Ethyl Lactate) -> CIR (Cosmetic Ingredient Review)Solvent |
| 향료 | Fragrance Ingredient (Ethyl lactate) -> IFRA transparency List |
| 냄새 | Buttery odorFruity butterscotch과일 같은 냄새 |
| 맛 | Sweet, fruity, creamy and pineapple like tasteMilk cream taste |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.03 at 68 °F (USCG, 1999) - Denser than waterwill sink1.0328 g.cu cm at 20 °C1.029-1.0371.042 @25 °C1.034 g/mL at 20 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | Colorless liquid |
| 용해도 | Miscible with waterMiscible with alcohol, ketones, esters, hydrocarbons, oilMiscible with gasolineMiscible with ether1000 mg/mL at 20 °Csoluble in organic solvents, oils클로로포름(가용성), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 인화점 | 115 °F (USCG, 1999)46 °C115 °F (46 °C) (Closed Cup)54.6±6.4 °C |
| 녹는점 | −26 °C(lit.) |
| 끓는 점 | 154 °C(lit.) |
| 증기 밀도 | 4.1 (vs air) |
| 증기압 | 2 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.4130(lit.) |
| FEMA | 2440 | ETHYL LACTATE |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 13.21±0.20(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색~담황색 투명 |
| pH | 4 (50g/l, H2O, 20℃) |
| 폭발한계 | 1.5-16.4%(V) |
| 용해도 | 녹는 |
| Merck | 14,3817 |
| BRN | 1720839 |
| InChI | 1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1 |
| InChIKey | LZCLXQDLBQLTDK-BYPYZUCNSA-N |
| SMILES | C[C@H](O)C(OCC)=O |
| LogP(분배 계수) | 0.31 at 20℃ |
| NIST | Propanoic acid, 2-hydroxy-, ethyl ester, (S)-(687-47-8) |
| EPA | Propanoic acid, 2-hydroxy-, ethyl ester, (2S)- (687-47-8) |
화학적 성질
clear liquid
안전 및 규제
| GHS 분류 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2851) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Propanoic acid, 2-hydroxy-, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Propanoic acid, 2-hydroxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-hydroxy-, ethyl ester 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: 28-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28375Propanoic acid, 2-hydroxy-, ethyl ester: HSNO Approval: HSR001150 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Propanoic acid, 2-hydroxy-, ethyl ester: Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 화재 가능성 | Moderate fire risk. |
| 건강 유해성 | Inhalation of concentrated vapor may cause drowsiness. Contact with liquid causes mild irritation of eyes and (on prolonged contact) skin. Ingestion may cause narcosis. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | It is similar to ethyl acetate with low toxicity. Does not cause skin irritation or sensitizationNo mutagenic effects in bacteriaHigh doses can cause central nervous system depression. [Sullivan, p. 450-1] Inhalation of high concentrations may cause drowsinessLiquid is a mild eye irritant[CAMEO] |
| 운송 번호 및 가이드(DOT) | 1192 129 |
| FDA 요건 | Ethyl lactate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.Ethyl lactate is an indirect food additive for use only as a component of adhesives.The following diluents may be safely used in color additive mixtures that are exempt from certification and which are to be used for coloring drugs, subject to the condition that each straight color in the mixture has been exempted from certification or, if not so exempted, is from a batch that has previously been certified and has not changed in composition since certification. ... Ethyl lactate: special use, inks for branding pharmaceutical forms. |
| 반응성 그룹 | Alcohols and Polyols |
| FIFRA 요건 | Unless specifically excluded, residues resulting from the use of the following substance as either an inert or an active ingredient in a pesticide chemical formulation, including antimicrobial pesticide chemicals, is exempted from the requirement of a tolerance under FFDCA section 408, if such use is in accordance with good agricultural or manufacturing practices. Lactic acid, ethyl ester is included on this list. |
| Reactivity Profile | ETHYL LACTATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. |
| 소화 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 응급 처치 | INHALATION: remove victim to fresh air.General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 소화 절차 | Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Wear self-contained breathing apparatus for firefighting if necessary.Use water spray to cool unopened containers. |
| 보관 조건 | Keep well closed. |
| 정리 방법 | Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adquate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vopors can accumulate in low areas.Prevent further leakage or spillage if safe to do so. Do not let product enter drains.Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushign and place in container for disposal according to local regulation... |
| 비화재 누출 대응 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 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. |
| Preventive Measures | 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.Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of the workday.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. Storage clas (TRGS 510): flammable liquids.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. |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Immediate precautionary measure |
| Allowable Tolerances | Unless specifically excluded, residues resulting from the use of the following substance as either an inert or an active ingredient in a pesticide chemical formulation, including antimicrobial pesticide chemicals, is exempted from the requirement of a tolerance under FFDCA section 408, if such use is in accordance with good agricultural or manufacturing practices. Lactic acid, ethyl ester is included on this list. |
| 생태독성 수치 | EC50Species: Daphnia magna (Water Flea)Conditions: freshwater, static, 20 °C, pH 8.0Concentration: 560000 ug/L for 48 hr (95% confidence interval: 560000-763000 ug/L)Effect: intoxication, decreased mobility /97% purity/LC50Species: Danio rerio (Zebra Danio)Conditions: freshwater, staticConcentration: 320000 ug/L for 96 hr (95% confidence interval: 305000-417000 ug/L) /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 ethyl lactate is expected to have very high mobility in soil(SRC). Volatilization of ethyl lactate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.8X10-7 atm-cu m/mole(SRC), based upon its vapor pressure, 3.75 mm Hg(3), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(4). Ethyl lactate is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Ethyl lactate exhibited 22% and 75% theoretical BOD in 5 and 28 days, respectively, using a Closed Bottle screening test(5), suggesting biodegradation may be an important fate process in soil(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 ethyl 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 5.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 3.75 mm Hg(4), and an assigned value for water solubility of 1X10+6 mg/L (miscible)(5). Hydrolysis is expected in water based on estimated hydrolysis half-lives of 72 and 7 days at pH 7 and 8, respectively(2). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of -0.18(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Ethyl lactate exhibited 22% and 75% theoretical BOD in 5 and 28 days, respectively, using a Closed Bottle screening test(7), suggesting biodegradation may be an important fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl lactate, which has a vapor pressure of 3.75 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl 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 4.1 days(SRC), calculated from its rate constant of 3.9X10-12 cu cm/molecule-sec at 23 °C(3). Ethyl 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). |
| 식품 조사 수치 | Ethyl lactate was identified as a volatile component in soy sauce and Sukiyaki(1). Ethyl lactate was identified as a flavor component of Pine Sprout Tea(2). Ethyl lactate was identified as a volatile component of three commercial fermented soybean curds at concentrations of 9744.4, 5084.5 and 2755.7 ug/kg(3). Ethyl lactate is reported in apple, apricot, grape, pineapple, raspberry, plum, blackberry, cabbage, beer, cognac, rum, whiskey, sherry, grape wines, fruit brandies, vinegar, rye and wheat bread, butter, and soy sauce(4). Ethyl lactate is also reported in citrus fruits, peas, sauerkraut, bread preferment, cider, cocoa and Bantu beer(5). Ethyl lactate concentrations increased steadily with fermentation age in Gueuze beer(6). Ethyl lactate was produced in wines made from Early Richmond cherries fermented with six yeast varieties of Saccharomyces cerevisiae(7). Ethyl lactate was detected in the fruit juice of yellow passion fruit (Passiflora edulis Sims G. Glavicarpa degner)(8). |
| 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...Ethyl Lactate...Safe for use in cosmetics, with qualificationsIDENTIFICATION AND USE: Ethyl lactate is a colorless liquid with a buttery or fruity odor and a sweet, fruity taste. It is used as a solvent for nitrocellulose, cellulose acetate, many cellulose ethers, resins. It is also the active ingredient in many antiacne preparationsand used in the preparation of lacquers, paints, enamels, varnishes, stencil sheets, safety glass, flavoring, and cosmetic formulations (0.2%). HUMAN EXPOSURE AND TOXICITY: Etyl lactate was not a skin irritant or skin sensitizer in humans, when tested at 8% in petroleum. In a separate human study, ethyl lactate applied to the skin significantly reduced skin pH, the number of bacteria recoverable from skin, and the hydrolysis of sebum to free fatty-acid by bacterial lipases. ANIMAL STUDIES: Ethyl lactate is irritating to the rabbit eye and guinea pig skin (intradermal injections). It is a central nervous system depressant and lethal to animals in high concentrations, causing respiratory paralysis. One out of 8 rats died when fed a diet containing 5% ethyl lactate. No evidence of teratogenicity or maternal toxicity was observed in the testing of other lactate esters. Ethyl lactate was applied percutaneously on the back of groups of pregnant rats on days 6 to 15 of gestation. Applied doses were 0, 517, 1551, or 3619 mg/kg bw. Slight erythema and desquamation was observed in treated animals at the application site. No other clinical signs or necropsy observations were noted. No effects were observed on the development. Ethyl lactate was negative for mutagenicity in the Ames test using strains TA 98, 100, 1535, 1537, and 1538. |
| Plant Concentrations | Ethyl lactate has been detected, not quantified in pineapple fruit (Ananas comosusBromeliaceae)(1). |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethyl lactate can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl lactate is expected to have very high mobility in soil. |
| Natural Pollution Sources | Ethyl lactate is found in apples, apricots, grapes, pineapples, raspberries, plums, blackberries, cabbage, citrus fruits and peas(1,2). |
| Human Toxicity Excerpts | /HUMAN EXPOSURE STUDIES/ Irritation: Tested at 8% in petrolatum, ethyl lactate produced no irritation after a 48-hr closed-patch test on human subjects. Sensitization: A maximization test was carried out on 25 volunteers. The material was tested at a concn of 8% in petrolatum and produced no sensitization reactions./SIGNS AND SYMPTOMS/ Ethyl lactate applied to human skin significantly reduced skin pH, the number of bacteria recoverable from skin, & the hydrolysis of sebum to free fatty acid by bacterial lipases./CASE REPORTS/ Allergic contact dermatitis has been documented in a single individual using an antiacne soap containing 10% ethyl lactate as the active ingredient. Due to the absence of reports of human poisoning or intoxication, ethyl lactate appears to be relatively safe at usual exposure levels. |
| Artificial Pollution Sources | Ethyl lactate's production and use as a solvent for nitrocellulose, cellulose acetate, many cellulose ethers, and resinsin lacquers, paints, enamels, varnishes, stencil sheets, safety glass and flavoring(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: Ethyl lactate was classified as readily biodegradable(1). Ethyl lactate was found to exhibit 22% of its theoretical BOD after 5 days and 75% of its theoretical BOD after 28 days using the Closed Bottle screening test when applied at a mean concentration of 1.88 mg/L(2). When applied at a mean concentration of 4.0 mg/L ethyl lactate was found to be 36% of its theoretical BOD after 5 days and 85% of its theoretical BOD after 28 days(2). |
| Environmental Bioconcentration | An estimated BCF of 3 was calculated in fish for ethyl lactate(SRC), using an estimated log Kow of -0.18(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). |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | OD5075000 |
| 운송 번호(UN) | UN 1192 3/PG 3 |
| 독성 | LD50 orally in Rabbit: > 2000 mg/kg |
| 관세 코드 | 29181100 |
| 위험 문구(R) | 10-37-41 |
| 위험 표시 | Xi,F |
| 안전 문구(S) | 24-26-39 |
| 포장분류 | III |
| 위험 등급 | 3Eye Dam. 1Flam. Liq. 3STOT SE 3 |
| 기존화학 물질 | KE-20855 |
| 위험 참고 사항 | Irritant/Flammable |
| 자연 발화 온도 | 752 °F |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
(-)-Ethyl L-Lactate is a naturally occuring chemical compound that is often used as an industrial solvent in chemical reactions.
일반 설명
Ethyllactate is an economically viablegreen solvent used in organic synthesis. It is generally employed in organic reactions like multi-component reactions, cycloaddition reaction, asymmetric induction, photochemical synthesis, and ligand-free coupling reactions, etc.