기본 정보
- CAS
36861-47-9- 표준 SMILES
Cc1ccc(C=C2C(=O)C3(C)CCC2C3(C)C)cc1- InChIKey
HEOCBCNFKCOKBX-UHFFFAOYSA-N- 분자식
- C18H22O
- 평균 분자량
- 254.4 g/mol
- 단동위원소 질량
- 254.16706532
이름 및 식별자
- 우선 이름
- 3-(4'-Methylbenzylidene)camphor
- IUPAC
- 1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one
- 현지명
- 4-메칠벤질리덴캠퍼
- 영어명
- 3-(4-Methylbenzylidene)camphor
- 분자식
- C18H22O
- 분자량
- 254.37
이름 및 동의어
36861-47-93-(4'-Methylbenzylidene)camphorRefChem:1066747Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-((4-methylphenyl)methylene)-4-Methylbenzylidenecamphor1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-oneMethyl Benzylidene Camphor; 3-(4'-Methyl)benzylidene-bornan-2-one3-(4'-methyl)benzylidene-bornan-2-oneSCHEMBL83091orb1220335UYB80641s3704
이름 더 보기
4-메칠벤질리덴캠퍼Enzacamene4-METHYLBENZYLIDENE CAMPHORPARSOL 5000NEO HELIOPAN MBCMEXORYLSDNEO-HELIOPAN4-Methylbenzylidencamphor3-(4-METHYLBENZYLIDINE)CAMPHORMBC 95UV 4MBC
DA-30146NS000094121,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
데이터베이스 식별자
- CAS
36861-47-9- PubChem CID
- 37563
- DTXSID
DTXSID8047896- EC Number
- 253-242-6
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 423
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Fragrance
FragrancesFragrance Ingredient (3-(4'-Methylbenzylidene)camphor) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 66 · 66-68°C
- 끓는 점
- 198 · 198-200 °C
- 밀도
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O; · insoluble in H2O; ≥10 mg/mL in DMSO; ≥111.2 mg/mL in EtOH
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 8 · 8.0
- 색상
- White to off-white
- BRN
- 9213949 · 9213949
- 화장품 원료 기능
- 광안정기자외선 흡수제자외선 필터
- InChI
- InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3
- InChIKey
- HEOCBCNFKCOKBX-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (6 of 462) of reports.
Warning
H400 (79.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 462 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-
Hazard Traits - Endocrine Toxicity
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Substance: (±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one
3-(4-Methylbenzylidene) bornan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Acute 1 (79.2%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 2914399000
- risk_code
- 63
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Household ProductsCosmetics product ingredient: (±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one (covering any of the individual isomers and/or combinations thereof (4-MBC); 4-Methylbenzylidene Camphor (4-MBC))
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-[(4-methylphenyl)methylene]-: ACTIVE
응용 분야
용도3-(4-Methylbenzylidene)camphor is an organic camphor derivative that is used in the cosmetic industry for its ability to protect the skin against UV, specifically UV B radiation. 4-Methylbenzylidene camphor(4-MBC) a UV-B ray filter, is an endocrine disruptors (ED).
공급사102 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创海生物科技有限公司
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