기본 정보
- CAS
7659-86-1- 표준 SMILES
CCCCC(CC)COC(=O)CS- InChIKey
OWHSTLLOZWTNTQ-UHFFFAOYSA-N- 분자식
- C10H20O2S
- 평균 분자량
- 204.33 g/mol
- 단동위원소 질량
- 204.11840088
이름 및 식별자
- 우선 이름
- 2-Ethylhexyl thioglycolate
- IUPAC
- 2-ethylhexyl 2-sulfanylacetate
- 현지명
- 2-에틸헥실 머캡토아세트산
- 영어명
- 2-Ethylhexyl mercaptoacetate
- 분자식
- C10H20O2S
- 분자량
- 204.33
이름 및 동의어
2-Ethylhexyl thioglycolate7659-86-12-Ethylhexyl mercaptoacetateMercaptoacetic acid 2-ethylhexyl esterDTXSID40276562-EthylhexylthioglycolateX6P51ASB6HEHTGDTXCID807656RefChem:897807231-626-4Thioglycolic acid 2-ethylhexyl ester
이름 더 보기
메르캅토초산2-에틸헥실2-에틸헥실머캡토아세트산티오글리콜산2-에틸헥실티오글리콜산옥틸2-에틸헥실머캡토아세트산(2-ETHYLHEXYLMERCAPTOACETATE)2-EHTGOCTYL THIOGLYCOLATEEthylhexyl thioglycolateEthylhexyl mercaptoacetate2-Ethylhexylmercaptoacetat2-EHTG(TM)UNII:X6P51ASB6H2-ethvlhexvlthioglvcolate
2-ethylhexyl 2-sulfanylacetateACETIC ACID, MERCAPTO-, 2-ETHYLHEXYL ESTERThioglykolsaeure-2-aethylhexyl esterMFCD000220812-mercaptoacetic acid 2-ethylhexyl ester2-ethylhexyl 2-mercaptoacetate32885-07-7Acetic acid, 2-mercapto-, 2-ethylhexyl ester
데이터베이스 식별자
- CAS
7659-86-1- PubChem CID
- 24309
- DTXSID
DTXSID4027656- ChEMBL
CHEMBL1869371- UNII
- X6P51ASB6H
- EC Number
- 231-626-4
- Nikkaji
- J150.356A
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 27.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 255 · 255-260 °C (lit.)
- 밀도
- 0.972 g/mL · 0.972 g/mL at 20 °C (lit.)
- 증기압
- 3.6 Pa · 3.6Pa at 25℃
- 굴절률
- 20 · n20/D 1.461
- 인화점
- 136 °C · 136 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 4.73 mg/L · 4.73mg/L
- 산도 계수 (pKa)
- 7.95 · 7.95±0.10(Predicted)
- 물리적 상태
- 기름
- 색상
- 무색
- 수용성
- 4.73 mg/L · 4.73mg/L at 20℃
- BRN
- 9047474 · 9047474
- InChI
- 1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
- InChIKey
- OWHSTLLOZWTNTQ-UHFFFAOYSA-N
- SMILES
- CCCCC(CC)COC(=O)CS
- LogP
- 4.7 at · 4.7 at 20℃
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (5 of 271) of reports.
Warning
H226 (14%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 271 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Acetic acid, mercapto-, 2-ethylhexyl ester
Acetic acid, 2-mercapto-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-mercapto-, 2-ethylhexyl 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: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13385
2-Ethylhexyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Alkyl mercaptoacetates (C8): Human health tier II assessment
Hazard Classes and Categories
Flam. Liq. 3 (14%)
Acute toxicity - category 4
Flammable liquids - Category 3
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI7255000
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
Acetic acid, 2-mercapto-, 2-ethylhexyl ester: ACTIVE
응용 분야
용도2-Ethylhexyl mercaptoacetate can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
상·하류 제품 정보
하류 제품
공급사100 곳
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
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