기본 정보
- CAS
68259-31-4- 표준 SMILES
CC1=C2CC(C=O)C(C1)C(C(C)C)C2- InChIKey
BNAYNPKNDLTBTJ-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
- IUPAC
- 5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde
- 영어명
- 5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
5(or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehydeEINECS 269-522-65(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehydeBicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-RefChem:527555DTXCID8030978269-522-6DTXSID605240568259-31-45-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehydeSCHEMBL16424574
이름 더 보기
isofreshal(5 or 6)-methyl-(7 o7-Formyl-8-isopropyl-2-methylbicyclo[2.2.2]-2-octene5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en...
BNAYNPKNDLTBTJ-UHFFFAOYSA-NNS00012742
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 275
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (5(Or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 247 · 247-257℃ at 98.6-99.3kPa
- 밀도
- 0.963 g/cm3 · 0.963g/cm3 at 19.9℃
- 증기압
- 1.646 · 1.646-2.446Pa at 20-25℃
- 물리적 상태
- 액체
- 냄새
- 100 %에서 · 100.00%에서. 알데히드 지방 녹색 금속성
- 냄새 유형
- 알데히드계
- 화장품 원료 기능
- 향수
- LogP
- 4.07 · 4.07-4.24 at 25℃ and pH7
- EPA
- 2.2 · Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)- (68259-31-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1544 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-
REACH registered substance: 5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (EC: 269-522-6)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 5(or 6)-methyl-7(or 8)-(1-methylethyl)-: ACTIVE
공급사7 곳
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
安阳市椿化科技有限公司13271120151 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
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