기본 정보
- CAS
15087-24-8- 표준 SMILES
CC12CCC(C(=Cc3ccccc3)C1=O)C2(C)C- InChIKey
OIQXFRANQVWXJF-UHFFFAOYSA-N- 분자식
- C17H20O
- 평균 분자량
- 240.34 g/mol
- 단동위원소 질량
- 240.15141526
이름 및 식별자
- 우선 이름
- 3-Benzylidenebornan-2-one
- IUPAC
- 3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- 현지명
- 3-벤질리덴캠퍼
- 영어명
- Benzylidene camphor
- 분자식
- C17H20O
- 분자량
- 240.34
이름 및 동의어
15087-24-83-benzylidenebornan-2-oneDTXSID90864552RefChem:198245DTXCID40813055benzylidene camphor3-BenzylidenecamphorBicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-oneBENZYLIDENECAMPHOR1,7,7-trimethyl-3-(phenylmethylidene)bicyclo[2.2.1]heptan-2-one(1S,4R)-3-[(E)-Benzylidene]-1,7,7-trimethylbicyclo[2.2.1]heptane-2-one
이름 더 보기
3-벤질리덴캠퍼3-BENZYLIDENE CAMPHOR3-BCBenzaLcamporCamphor Impurity 163-BENZYLIDENE-BORNAN-2-ONE3-Benzylidenecamphor (Standard)3-Benzylidenecamphor in methanol3-Benzylidene-1,7,7-trimethyl-norbornan-2-one2-benzylidene-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
BENZAL CAMPHORMaybridge1_002522(E)-3-benzylidene camphorSCHEMBL15171DivK1c_001274orb2695295orb2695300orb3139202
데이터베이스 식별자
- CAS
15087-24-8- PubChem CID
- 27021
- DTXSID
DTXSID90864552- EC Number
- 239-139-9
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 398
실험 및 물리화학적 성질
Cosmetics
Cosmetics ingredient -> Fragrance
Uv absorber; Uv filter
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 97 °C · 97 °C
- 끓는 점
- 310 °C · 310 °C
- 밀도
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 헥산(약간 용해됨), 메탄올(약간 용해됨)
- 색상
- 흰색에서 황백색까지
- BRN
- 1967440 · 1967440
- 주요 응용
- 환경
- 화장품 원료 기능
- 자외선 흡수제
- InChI
- InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
- InChIKey
- OIQXFRANQVWXJF-UHFFFAOYSA-N
- SMILES
- C12(C)C(C)(C)C(CC1)C(=CC1=CC=CC=C1)C2=O
- LogP
- 2.842 · 2.842 (est)
- EPA
- 2.2 · Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)- (15087-24-8)
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 17.6% (66 of 375) of reports.
Warning
H361 (82.4%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 375 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-
Hazard Traits - Endocrine Toxicity
Substance: 1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one
Bicyclo2.2.1heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-: 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 - 3-benzylidene camphor: Human health tier II assessment
Hazard Classes and CategoriesRepr. 2 (82.4%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DT5099765
- risk_code
- 63-62
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard Classifications
- Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Household ProductsCosmetics product ingredient: 1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one (3-Benzylidene camphor (3-BC))
Use ClassificationCosmetics -> Uv absorber; Uv filter
General Manufacturing InformationBicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-: ACTIVE
응용 분야
용도3-benzylidene camphor is a sunscreen chemical with uVB-filtering and absorption capacities with an approved usage level of up to 2 percent in the european union.
공급사48 곳
北京华美互利生物化工010-56205725 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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