Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
DL-말산
DL-말산 · 사과산 · DL-말산(DL-MALICACID) · 사과산㎗ · 2-하이드록시뷰테인이산 · 2-하이드록시에테인-1,2-다이카복실산 · DL-하이드록시석신산 · R,S(±)-말산
식별자 및 물리적 특성
| CAS No. | 617-48-1 |
|---|---|
| 분자식 | C4H6O5 |
| 평균 분자량 | 134.09 g/mol |
| 단동위원소 질량 | 134.02152329 g/mol |
| SMILES | O=C(O)CC(O)C(=O)O |
| InChIKey | BJEPYKJPYRNKOW-UHFFFAOYSA-N |
| PubChem CID | 525 |
| ChEMBL | CHEMBL1455497 |
| ChEBI | CHEBI:6650 |
| EC No. | 210-514-9 |
| DTXSID | DTXSID0027640 |
| 현지명 | DL-말산 |
화학 및 물리적 성질
| XLogP | -1.3 |
|---|---|
| 극성 표면적 | 94.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 129 |
| pH | pH of a 0.001% aqueous solution is 3.80, that of 0.1% solution is 2.80, and that of a 1.0% solution is 2.34 |
| LogP(분배 계수) | log Kow = -1.26 |
| 냄새 | Characteristic |
| 맛 | Smoothly tartSour taste |
| 밀도 | 1.601 g/ cu cm at 20 °C1.25 @25 °C1,609 g/cm3 |
| Viscosity | 6.5 mPa.s (= cP) 50% aqueous solution at 25 °C |
| Color/Form | Colorless crystalsWhite, crystalline triclinic crystals |
| 용해도 | In water, 55.8 g/100 g water at 20 °CIn water, 592,000 mg/L at 25 °CSolubility in g/100 g solvent at 20 °C: methanol 82.70diethyl ether 0.84ethanol 45.53acetone 17-75dioxane 22.70It is highly soluble in methanol, ethanol, acetone, ether, and other polar solventssoluble in water and alcohol1 gm in 0.8 ml water1 g in 1.4 ml alcohol (in ethanol)메탄올: 0.1 g/mL, 투명, 무색 |
| 끓는 점 | Decomposes at >225 °C and <235 °C (BP not determinable) /OECD Guideline 103 (Boiling point/boiling range)/150℃[at 101 325 Pa] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 녹는점 | 127-132 °C130.97 °C /OECD Guideline 102 (Melting point / Melting Range)/CrystalsMP: 101 °C /D(+)-Form/131-133 °C(lit.) |
| 증기압 | 0.00000293 [mmHg]3.28X10-8 mm Hg at 25 °C (extrapolated)<0.1 mm Hg ( 20 °C) |
| 증기 밀도 | 4.6 (vs air) |
| FEMA | 2655 | L-MALIC ACID |
| 인화점 | 203°C |
| 저장 조건 | Refrigerator |
| pKa(산도 계수) | pK1:3.458pK2:5.097 (25°C) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 500g/L at 25℃ |
| 안정성 | 안정적인. 강산화제, 강염기, 아민, 알칼리 금속, 탄산염과 호환되지 않습니다. |
| LogP(분배 계수) | -1.3 at 24℃ |
| EPA | Butanedioic acid, hydroxy-(617-48-1) |
화학적 성질
white crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (7 of 2124) of reports.DangerH315 (74.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (10.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (89.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2124 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 2124 reports by companies.There are 21 notifications provided by 2117 of 2124 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Butanedioic acid, hydroxy-, (S)-Chemical: Butanedioic acid, 2-hydroxy-Regulation (EC) No 1831/2003 (amended)Butanedioic acid, 2-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 2-hydroxy- 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: 08-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14420Status: Active Update: 29-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11511 |
| 유해성 요약 | Irritating to skin and eyesEmergency medical treatment: acids[HSDB] No evidence of animal reproductive toxicity in unpublished reports[REPROTOX] Daily consumption in fruits and vegetables estimated at 1.5 -3 grams[JECFA] A severe eye and moderate skin irritant[RTECS] An irritantMay cause serious eye injury |
용도
개요
White or nearly white, crystalline powder or granules having a strongly acid taste. One g dissolves in 0.8 mL of water and in 1.4 mL of alcohol. Its solutions are optically inactive. It melts at about 130°.
용도
DL-malic acid is primarily used in the food and beverage industry.