Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
티오초산
사초산 · 에탄티온산 · 싸이오아세트산 · 티오초산 · 티올초산 · 싸이오아세트산(THIOACETICACID) · TAA · Ethanethioic S-acid
식별자 및 물리적 특성
| CAS No. | 507-09-5 |
|---|---|
| 분자식 | C2H4OS |
| 평균 분자량 | 76.12 g/mol |
| 단동위원소 질량 | 75.99828575 g/mol |
| SMILES | CC(=O)S |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| PubChem CID | 10484 |
| ChEBI | CHEBI:16555 |
| EC No. | 208-063-8 |
| DTXSID | DTXSID5060142 |
| 현지명 | 티오초산 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 18.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 33 |
| 물질 분류 | Other Classes -> Organic AcidsFlammable agents - 3rd degree |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.063-1.0671.064 @25 °C1.065 g/mL at 25 °C(lit.) |
| 용해도 | Soluble in water, diethyl ether and acetoneSoluble (in ethanol)27g/l(느린 분해) |
| 끓는 점 | 88.00 °C. @ 760.00 mm Hg88-93 °C93 °C @760 [mm Hg]97 °C |
| 녹는점 | 17 °C-17 °C |
| 굴절률 | 1.459-1.466n20/D 1.465(lit.) |
| Physical Description | Thioacetic acid appears as a clear,yellow liquid with a strong, unpleasant odor. May be toxic by ingestion, inhalation and skin absorption. Irritating to skin and eyes. Used to make other chemicals.Yellow liquid with a pungent odor[Merck Index] Colorless or pale yellow liquid[Alfa Aesar MSDS]Pale yellow liquidCooked brown and roasted meat aroma |
| 증기압 | 1 hPa (20 °C) |
| FEMA | 4210 | THIOACETIC ACID |
| 인화점 | 52 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 3.33(at 25℃) |
| 색상 | 무색~담황색 투명 |
| pH | 1.8 (100g/l, H2O, 20℃)Hydrolysis |
| 냄새 | 프로필렌 글리콜 중 0.01%. 요리 구운 고기 탄 |
| 향취 유형 | 고기가 많은 |
| 생물학적 소스 | synthetic |
| 용해도 | 27g/L(15℃)(가수분해) |
| Merck | 14,9320 |
| JECFA Number | 1676 |
| BRN | 773684 |
| 유전율 | 13.0(20℃) |
| 안정성 | 안정적인. 가연성. 금속, 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| SMILES | CC(S)=O |
| LogP(분배 계수) | 0.14 |
| NIST | Ethanethioic acid(507-09-5) |
| EPA | Ethanethioic acid (507-09-5) |
화학적 성질
colourless fuming liquid with an unpleasant odour
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 176 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Ethanethioic acidCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanethioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethioic acid 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: 25-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12473Ethanethioic acid: HSNO Approval: HSR001051 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.) |
| 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. |
| 건강 유해성 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | Causes other liver changes, changes in urine composition, and hypoglycemia in 10-week dermal studies of rats[RTECS] A skin and eye irritant[CAMEO] Safe when used as a flavoring agent in food[JECFA] Causes severe skin burns and eye damage[Sigma-Aldrich MSDS] May cause skin sensitizationMay cause chemical pneumonitis[Alfa Aesar MSDS] Search for (507-09-5[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results[PubMed] |
| 운송 번호 및 가이드(DOT) | 2436 129 |
| 반응성 그룹 | Acids, Carboxylic |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | THIOACETIC ACID is a thio 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. |
| DOT Hazard Classification | Thioacetic acidUN2436Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable agents - 3rd degree |
| 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 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:General First Aid: |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 비화재 누출 대응 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Immediate precautionary measure |
| Protective Action Criteria (PAC) | 1.1 [mg/m3]12 [mg/m3]69 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Emergency Response Planning Guidelines | CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. |
| 유해 작용 | Dermatotoxin - Skin burns. |
| Toxicity Data | LC50 (rat) = 2,200 mg/m3/2hr |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AJ5600000 |
| 운송 번호(UN) | UN 2436 |
| 독성 | LD50 orally in Rabbit: 200 - 350 mg/kg |
| 관세 코드 | 29309070 |
| 위험 문구(R) | 11-34-22-43-41 |
| 위험 표시 | F,C,Xn |
| 안전 문구(S) | 9-16-26-36/37/39-45-28-23 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 3 OralAcute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2Skin Sens. 1 |
| 기존화학 물질 | KE-13215 |
| F 고인화성물질 | 13-19 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Thioacetic acid is a reagent for introduction of the thiol group into organic molecules. It is used as flavor & Fragrance Intermediates. It is used to manufacture captopril(antihypertension) and spironolac-tone (diuretic).
일반 설명
A clear,yellow liquid with a strong, unpleasant odor. May be toxic by ingestion, inhalation and skin absorption. Irritating to skin and eyes. Flash point near 50°F. Used to make other chemicals.