기본 정보
- CAS
30374-01-7- 표준 SMILES
CC(C)CCCCCOC(=O)CCS- InChIKey
ZHUWXKIPGGZNJW-UHFFFAOYSA-N- 분자식
- C11H22O2S
- 평균 분자량
- 218.36 g/mol
- 단동위원소 질량
- 218.13405111
이름 및 식별자
- 우선 이름
- Isooctyl 3-mercaptopropionate
- IUPAC
- 6-methylheptyl 3-sulfanylpropanoate
- 현지명
- 이소옥틸 3-머캡토프로피오네이트 (CAS No. 30374-01-7)
- 영어명
- ISOOCTYL 3-MERCAPTOPROPIONATE
- 분자식
- C11H22O2S
- 분자량
- 218.36
이름 및 동의어
Isooctyl 3-mercaptopropionate30374-01-7Propanoic acid, 3-mercapto-, isooctyl esterEINECS 250-157-6EC 250-157-6DTXSID8044911RefChem:792019250-157-66-Methylheptyl 3-mercaptopropanoate6-Methylheptyl 3-sulfanylpropanoate89136-90-36-Methylheptyl 3-mercaptopropionate
이름 더 보기
이소옥틸3-머캡토프로피오네이트(CASNo.30374-01-7)이소옥틸3-메르캅토프로피오네이트sooctyl 3-mercaptopropionateIsoctyl 3-mercaptopropionateIsooctyl 3-Mercaptopropionate >=99%ISOOCTYL 3-MERCAPTOPROPIONATE IOMP3-mercapto-propanoicaciisooctylester
3-mercaptopropionic acid isooctyl esterMFCD00046846Propanoic acid, 3-mercapto-, 6-methylheptyl esterPropionic acid, 3-mercapto-, 6-methylheptyl esterEINECS 289-472-9GQ2YYL7PUFisooctyl mercaptopropionateDSSTox_CID_24911
데이터베이스 식별자
- CAS
30374-01-7、89136-90-3- PubChem CID
- 104386
- DTXSID
DTXSID70274150- ChEMBL
CHEMBL3184500- UNII
- GQ2YYL7PUF
- EC Number
- 250-157-6、289-472-9
- Nikkaji
- J249.969J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 27.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 146
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 109 · 109-112 °C2 mm Hg(lit.)
- 밀도
- 0.95 g/mL · 0.950 g/mL at 25 °C(lit.)
- 증기압
- 0.28 · 0.28-0.45Pa at 20-25℃
- 굴절률
- 20 · n20/D 1.458(lit.)
- 인화점
- 14 °F · 14 °F
- 저장 조건
- 2 · 2-8°C(protect from light)
- 물리적 상태
- 액체
- InChI
- InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3
- InChIKey
- ZHUWXKIPGGZNJW-UHFFFAOYSA-N
- SMILES
- O(C(=O)CCS)CCCCCC(C)C
- LogP
- 4.62 · 4.62-5.33 at 30℃ and pH6.3
- EPA
- 3 · Propanoic acid, 3-mercapto-, isooctyl ester (30374-01-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (19.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 3-mercapto-, isooctyl ester
Propanoic acid, 3-mercapto-, isooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto-, isooctyl 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)
REACH registered substance: Isooctyl 3-mercaptopropionate (EC: 250-157-6)
Isooctyl 3-mercaptopropionate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 2 (19.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- risk_code
- 11
- hazard_code
- F
- safety_code
- 16-33-7/9
- 기존화학 물질
- 2001-3-1862
- Hazard Classifications
화학 및 산업
용도 및 제조
U.S. Production2023: 49,182 lb
Consumer UsesChain transfer agent
Industry UsesChain transfer agent
General Manufacturing Information
Plastics Material and Resin Manufacturing
Propanoic acid, 3-mercapto-, isooctyl ester: ACTIVE
응용 분야
용도Polymerization modifier: crosslinking agent, chain transfer agent
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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