기본 정보
- CAS
7779-31-9- 표준 SMILES
C=C(C)C(=O)OC1CC(C)CC(C)(C)C1- InChIKey
DABQKEQFLJIRHU-UHFFFAOYSA-N- 분자식
- C13H22O2
- 평균 분자량
- 210.31 g/mol
- 단동위원소 질량
- 210.16197994
개요
2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester is an enoate ester.
이름 및 식별자
- 우선 이름
- 3,3,5-Trimethylcyclohexyl methacrylate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate
- 현지명
- 3,3,5-트리메틸시클로헥실메타크릴레이트
- 영어명
- 3,3,5-Trimethylcyclohexyl methacrylate
- 분자식
- C13H22O2
- 분자량
- 210.31
이름 및 동의어
3,3,5-Trimethylcyclohexyl methacrylate2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl esterRefChem:485184231-927-07779-31-9(3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate3,3,5-trimethylcyclohexyl 2-methylprop-2-enoate3,5,5-trimethylcyclohexyl methacrylateDTXSID5044990508SPW3T3PMFCD00078372UNII-508SPW3T3P
이름 더 보기
3,3,5-트리메틸시클로헥실메타크릴레이트IsophorylmethacrylateLABOTEST-BB LT001593623,3,5-Trimethylcyclohexyl 2-methyl-2-propenoatemethacrylic acid 3,3,5-trimethylcyclohexyl estermethylpropyleneacid3,3,5-trimethylcyclohexyl ester2-Methyl-2-acrylic acid-3,3,5-trimethylcyclohexyl ester2-Propenoicacid,2-methyl-,3,3,5-trimethylcyclohexylester3,3,5-trimethylcyclohexyl methacrylate, mixture of isomers
EINECS 231-927-0SCHEMBL194848CHEMBL3186116DTXCID3024990CHEBI:183275335-Trimethylcyclohexyl methacrylateTox21_301400SBB057178
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 266
실험 및 물리화학적 성질
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 15 °C · −15 °C(lit.)
- 끓는 점
- 79 °C1 · 79 °C1 mm Hg(lit.)
- 밀도
- 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
- 증기압
- 7.3 Pa · 7.3Pa at 25℃
- 굴절률
- 20 · n20/D 1.456(lit.)
- 인화점
- 208 °F · 208 °F
- 물리적 상태
- liquid
- 수용성
- 5.3 mg/L · 5.3mg/L at 20℃
- BRN
- 3245062 · 3245062
- InChI
- 1S/C13H22O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3
- InChIKey
- DABQKEQFLJIRHU-UHFFFAOYSA-N
- SMILES
- CC1CC(CC(C)(C)C1)OC(=O)C(C)=C
- LogP
- 5.25 at · 5.25 at 20℃
- EPA
- 2 · 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester (7779-31-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester
2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21353
2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester: 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.
Other Safety InformationIMAP assessments - 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester: ACTIVE
공급사31 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
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