Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
티오락틱산
티오락틱산 · 티오락틱애씨드 · FEMA 3810 · THIOLACTIC ACID · FEMA 3180 · thiolactic · Thiomilchsure · Thio Latic Acid
식별자 및 물리적 특성
| CAS No. | 79-42-5 |
|---|---|
| 분자식 | C3H6O2S |
| 평균 분자량 | 106.15 g/mol |
| 단동위원소 질량 | 106.00885043 g/mol |
| SMILES | CC(S)C(=O)O |
| InChIKey | PMNLUUOXGOOLSP-UHFFFAOYSA-N |
| PubChem CID | 62326 |
| ChEMBL | CHEMBL2158192 |
| ChEBI | CHEBI:47872 |
| EC No. | 201-206-5 |
| DTXSID | DTXSID80861636 |
| 현지명 | 티오락틱산 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 38.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 61.8 |
| 물질 분류 | Other Classes -> Organic AcidsFlammable agents - 2nd degree |
| 화장품 | DepilatoryHair waving or straighteningReducingAntioxidant |
| 향료 | Fragrance Ingredient (2-Mercaptopropionic acid) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.192-1.2001.196 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | miscible in water, alcohol, ether and acetone1 mL in 1 mL 95% alcohol (in ethanol)1g/L in organic solvents at 20 ℃ |
| 끓는 점 | 117.00 °C. @ 16.00 mm Hg117 °C102 °C/16 mmHg (lit.) 203-208 °C (lit.) |
| 녹는점 | 12 °C10-14 °C (lit.) |
| 굴절률 | 1.479-1.484n20/D 1.481(lit.) |
| Physical Description | Thiolactic acid appears as an oily liquid with an unpleasant odor. Toxic by ingestion and skin absorption. Used as a depilatory and in hair waving preparations.Liquid with a disagreeable odormp = 10 deg C[Merck Index] Colorless liquid with a stenchmp = 10-14 deg C[Alfa Aesar MSDS]colourless to pale yellow liquid with roasted, meaty odour |
| 증기압 | 1.7 hPa (20 °C) |
| FEMA | 3180 | 2-MERCAPTOPROPIONIC ACID |
| 인화점 | 190 °F |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | pK1:4.32(0)pK2:10.20(SH) (25°C) |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| pH | 2 (H2O, 20℃)(undiluted) |
| 냄새 | 프로필렌 글리콜 중 0.01%. 고기가 많은 유황 구이 |
| 향취 유형 | 유황의 |
| 생물학적 소스 | synthetic |
| 용해도 | 혼용 가능 |
| JECFA Number | 551 |
| Merck | 14,9340 |
| BRN | 506218 |
| 화장품 원료 기능 | 제모제항산화제향기헤어 웨이브 또는 스트레이트피부의 산화 스트레스를 줄이세요 |
| InChI | 1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) |
| InChIKey | PMNLUUOXGOOLSP-UHFFFAOYSA-N |
| SMILES | CC(S)C(O)=O |
| LogP(분배 계수) | 1.15 at 20℃ |
| NIST | 2-Mercaptopropanoic acid(79-42-5) |
| EPA | Propanoic acid, 2-mercapto- (79-42-5) |
화학적 성질
Clear colorless to slightly yellow liquid. Oily liquid; Melting point 10 ℃; Boiling point d-95 ~ 100 ℃ / 2133Pa, dl- 98.5 ~ 99.0 ℃ / 1866Pa; Density I-D19.24 1.193; Refractive index dl-nD: 1.4823; Optical rotation[α] D-45.47; soluble in water, ethanol and ether.
안전 및 규제
| GHS 분류 | DangerH301 (86.3%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1491 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Propanoic acid, 2-mercapto-Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/262632-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standardThe 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 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 유해성 요약 | Safe when used as a flavoring agent in food[JECFA] Toxic by ingestion and skin absorption[CAMEO] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestion[Alfa Aesar MSDS] |
| 운송 번호 및 가이드(DOT) | 2936 153 |
| 반응성 그룹 | Acids, Carboxylic |
| Reactivity Profile | THIOLACTIC ACID is an organosulfide/organic acid. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water |
용도
용도
Depilatory, hair-waving preparations.
일반 설명
An oily liquid with an unpleasant odor. Toxic by ingestion and skin absorption. Used as a depilatory and in hair waving preparations.
제조 및 합성 방법
제조 방법
By electrolysis of the corresponding sulfide, S(SCHMeCO2H)2.