기본 정보
- CAS
58096-47-2- 표준 SMILES
CC12CCCC3(C1)C(OC=O)CC(C)(C)C3CC2- InChIKey
WXBDWVKJVASAHR-UHFFFAOYSA-N- 분자식
- C16H26O2
- 평균 분자량
- 250.38 g/mol
- 단동위원소 질량
- 250.19328007
이름 및 식별자
- 우선 이름
- 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate
- IUPAC
- (4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate
- 영어명
- decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate
- 분자식
- C16H26O2
- 분자량
- 250.38
이름 및 동의어
58096-47-23a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formateEINECS 261-118-8DTXSID108666743a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formateDecahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-ylformateRefChem:95549DTXCID108149381,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl formateDecahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate(4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formateSCHEMBL30689542
이름 더 보기
3a,7-Methano-3aH-cyclopentacycloocten-3-ol,decahydro-1,1,7-trimethyl-,formateDecahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-ylformiatDecahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacycloocten-3-ol formate(1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo[6.3.1.01,5]dodecan-3-yl) formate
WXBDWVKJVASAHR-UHFFFAOYSA-NNS00053390F119031,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-ylformate
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 362
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formate) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 315.9 · 315.9±9.0 °C(Predicted)
- 밀도
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- 증기압
- 0.109 Pa · 0.109Pa at 25℃
- 물리적 상태
- 액체
- LogP
- 4.86 at · 4.86 at 25℃
- EPA
- 3 a,7-Methano-3aH-cyclopentacycloocten-3-ol, · 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formate (58096-47-2)
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 61.6% (61 of 99) of all reports.
Warning
H317 (25.3%): 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 99 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: 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formate
REACH registered substance: Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate (EC: 261-118-8)
Hazard Classes and CategoriesSkin Sens. 1 (25.3%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate: ACTIVE
공급사3 곳
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…