기본 정보
- CAS
86178-38-3- 표준 SMILES
C=CC(=O)OC1CC(C)CC(C)(C)C1- InChIKey
ZMTBGVBNTHTBEC-UHFFFAOYSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
이름 및 식별자
- 우선 이름
- Isophoryl acrylate
- IUPAC
- (3,3,5-trimethylcyclohexyl) prop-2-enoate
- 영어명
- 3,3,5-trimethylcyclohexyl acrylate
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
3,3,5-Trimethylcyclohexyl acrylate86178-38-3(3,3,5-trimethylcyclohexyl) prop-2-enoate2-Propenoic acid, 3,3,5-trimethylcyclohexyl esterisophoryl acrylateQQ3S6CM5VFEINECS 289-200-93,3,5-trimethylcyclohexyl prop-2-enoateNSC-72762DTXSID30888671NSC 72762Acrylic acid, 3,3,5-trimethylcyclohexyl ester
이름 더 보기
,3,5-trimethylcyclohexyl acrylate3,3,5-Trimethylcyclohexyl acrylate(TMCHA)acrylic acid 3,3,5-trimethylcyclohexanol esterPropenoic acid 3,3,5-trimethylcyclohexyl ester3,3,5-Trimethylcyclohexyl Acrylate(cis- and trans- mixture) (stabilized with MEHQ)
3,3,5-TRIMETHYLCYCLOHEXYL 2-PROPENOATERefChem:792062DTXCID301027947289-200-9812-099-587954-40-3MFCD00078291NSC72762
데이터베이스 식별자
- CAS
86178-38-3、87954-40-3- PubChem CID
- 98056
- DTXSID
DTXSID30888671- UNII
- QQ3S6CM5VF
- EC Number
- 289-200-9、812-099-5
- Nikkaji
- J333.937H
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 230
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 40 °C · 40 °C(Press: 0.2 Torr)
- 밀도
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- 증기압
- 12.8 Pa · 12.8Pa at 25℃
- 수용성
- 18.3 mg/L · 18.3mg/L at 20℃
- 화장품 원료 기능
- 필름 형성제
- InChI
- InChI=1S/C12H20O2/c1-5-11(13)14-10-6-9(2)7-12(3,4)8-10/h5,9-10H,1,6-8H2,2-4H3
- InChIKey
- ZMTBGVBNTHTBEC-UHFFFAOYSA-N
- SMILES
- C(OC1CC(C)CC(C)(C)C1)(=O)C=C
- LogP
- 4.6 at · 4.6 at 20℃
- EPA
- 2 · 2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester (86178-38-3)
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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 471 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester
2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 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.
REACH registered substance: 3,3,5-trimethylcyclohexyl acrylate (EC: 289-200-9)
2-Propenoic acid, 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-34487
화학 및 산업
용도 및 제조
U.S. Production2023: 75,000 - <100,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 3,3,5-trimethylcyclohexyl ester: ACTIVE
공급사57 곳
江西益众化工有限公司15307925109 15350027073 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
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13720274133 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
广州吉昕泰新材料科技有限公司
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