메틸 젖산염

Methyl Lactate

HCID 11040CAS 2155-30-8

기본 정보

표준 SMILES
COC(=O)C(C)O
InChIKey
LPEKGGXMPWTOCB-UHFFFAOYSA-N
분자식
C4H8O3
평균 분자량
104.1 g/mol
단동위원소 질량
104.04734412

개요

Methyl 2-hydroxypropionate is a lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. It has a role as a metabolite. It is a methyl ester and a lactate ester.

이름 및 식별자

우선 이름
Methyl Lactate
IUPAC
methyl 2-hydroxypropanoate
현지명
메틸 젖산염
영어명
Methyl lactate
분자식
C4H8O3
분자량
104.1

이름 및 동의어

METHYL LACTATE547-64-8Methyl 2-hydroxypropanoateDL-Methyl lactateLactic acid, methyl esterMethyl 2-hydroxypropionatePropanoic acid, 2-hydroxy-, methyl ester(+-)-Methyl lactateMethyl alpha-hydroxypropionate2-Hydroxypropanoic acid methyl ester(+-)-Methyl 2-hydroxypropanoate(+-)-Methyl 2-hydroxypropionate
이름 더 보기
메틸젖산염유산메틸메틸젖산염(METHYLLACTATE)메틸락테이트메틸 락테이트LACTIC ACID METHYL ESTERPropanoicacid,2-hydroxy-,methylesterlactatedemethyleMethylLactate>METHYL DL-LACTATELactic acid methylMilchsremethylester
DTXSID0027197NSC 406248AI3-00584H10S91526XNSC-406248METHYL LACTATE, DL-DTXCID407197CHEBI:83221

데이터베이스 식별자

CAS
2155-30-8、547-64-8
PubChem CID
11040
DTXSID
DTXSID0027197
ChEMBL
CHEMBL3183351
ChEBI
CHEBI:83221
UNII
H10S91526X
EC Number
208-930-0、218-449-8
Nikkaji
J2.650F

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

SolventsSolvents -> Esters (<C12)
CosmeticsCosmetic ingredients (Methyl Lactate) -> CIR (Cosmetic Ingredient Review)
Density · 2건

1.09 at 19 °C

/Bulk density/ (wt/gal)= 9 LB @ 68 °F

Viscosity2.94 cP at 20 °C
Color/FormColorless, transparent liquid
Solubility · 3건

Miscible in water with decomposition

Soluble in alcohol, ether

Miscible with most organic solvents

물리화학적 성질

녹는점
-66 °C · -66°C
끓는 점
35 °C · 35 °C (6 mmHg)
밀도
1.093 g/mL · 1.093 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.413
인화점
49 °C · 49 °C
저장 조건
Flammables area

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

GHS Classification · 6건

Warning

H226: 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)

Warning

H226: 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)

유해성 정보

Regulatory InformationMethyl lactate: Does not have an individual approval but may be used under an appropriate group standard
Fire PotentialModerate fire risk.
Hazards SummaryDecomposed by water; [Hawley] Mildly irritating; [HSDB] An eye and respiratory tract irritant; [eChemPortal: ESIS]; See ORGANIC SOLVENTS.
Flammable LimitsLower flammable limit: : 2.2% by vol @ 212 °F (100 °C)
NFPA Hazard Classification · 3건

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 ProductsSpecial hazards arising from the substance or mixture: Carbon oxides

안전 및 보호

Firefighting Hazards · 1건

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.

Fire Fighting Procedures · 4건

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.

Storage ConditionsKeep 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.
Cleanup Methods · 1건

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 areas; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains; Methods 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.

Disposal Methods · 2건

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 quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and 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 material; Contaminated packaging: Dispose of as unused product.

Preventive Measures · 3건

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.

독성 정보

Ecotoxicity ValuesEC50; Species: Daphnia magna (Water flea); Conditions: freshwater, static; Concentration: 780000 ug/L for 48 hr (95% confidence interval: 689000-882000 ug/L); Effect: intoxication, decreased mobility /97% purity/
Environmental Fate · 3건

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); this corresponds to half-lives of 68, 6.8 and 0.68 days at pH values of 7, 8 and 9, respectively(SRC).

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).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Summary · 3건

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 qualifications

IDENTIFICATION 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 · 1건

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/[USEPA; ICSS Dashboard Application; Available from, as of December 17, 2015: http://actor.epa.gov/dashboard/]

Soil Adsorption/Mobility · 1건

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.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
OD5670000
ridadr
UN 3272 3/PG 3
HS 번호
29181100
risk_code
10-36/37

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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. /Lactate esters/

Absorption, Distribution and ExcretionSince hydrolysis of lactate esters is fairly rapid, elimination pathways are probably the same as those for lactic acid and alcohol. /Lactic esters/

용도 및 제조

Uses · 6건

CIR ingredient: Methyl Lactate

Used as solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers, and stains; Also used to make acetyl, amide, and higher ester derivatives and carbetamide (herbicide); [HSDB]

Painting (Solvents) [Category: Paint]

Cellulose acetate solvent.

Solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers, stains.

CHEM INT, EG, FOR ACETYL, AMIDE & HIGHER ESTER DERIVS

U.S. Production · 2건

(1977) AT LEAST 4.54X10+9 G (CAPTIVE PRODN)

(1981) NO EVIDENCE OF PRODN FOR SALE IN USA

Methods of ManufacturingPrepared by heating 1 mole lactic acid condensation polymer with 2.5 to 5 moles of methanol and a small quantity of H2SO4 at 100 °C for 1-4 hours in a heavy walled bottle.
General Manufacturing InformationPropanoic acid, 2-hydroxy-, methyl ester: ACTIVE
응용 분야 · 2건

개요Methyl 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.

용도Methyl 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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

추가 설명

정의ChEBI: Methyl lactate is a lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. It has a role as a metabolite. It is a lactate ester and a methyl ester.

관련 반응

73건

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