기본 정보
- CAS
4747-61-9- 표준 SMILES
CC1(C)C2CCC(CCO)C1C2- InChIKey
RCRVMCSPZAMFKV-UHFFFAOYSA-N- 분자식
- C11H20O
- 평균 분자량
- 168.28 g/mol
- 단동위원소 질량
- 168.15141526
개요
Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl- has been reported in Nicotiana tabacum with data available.
이름 및 식별자
- 우선 이름
- Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-
- IUPAC
- 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol
- 현지명
- 2-(6,6-디메틸비시클로[3.1.1]헵트-2-일)에탄올
- 영어명
- 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethanol
- 분자식
- C11H20O
- 분자량
- 168.28
이름 및 동의어
HydronopolDihydrohomomyrtenolBicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethanolNopol (terpene), dihydro-2-Norpinaneethanol, 6,6-dimethyl-6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanolNSC 1285EINECS 225-267-22-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanolAI3-143816,6-Dimethylbicyclo(3.1.1)heptane-2-ethanol
이름 더 보기
2-(6,6-디메틸비시클로[3.1.1]헵트-2-일)에탄올DIHYDRO NOPOLPinaverium Impurity 13Pinaverium Bromide Impurity 132-(6,6-dimethylnorpinan-2-yl)ethanol2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethanol2-(7,7-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol
DTXSID70863447Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethanol2-(6,6-dimethyl-2-bicyclo(3.1.1)heptanyl)ethanolRefChem:568212DTXCID808120673GJ6TJ5GIN4747-61-9
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 174
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Bicyclo[3.1.1]_heptane-_2-_ethanol, 6,_6-_dimethyl-) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 123 · 123-125 °C(Press: 10 Torr)
- 밀도
- 0.961 g/cm3 · 0.961 g/cm3(Temp: 25 °C)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 15.12 · 15.12±0.10(Predicted)
- InChI
- InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3
- InChIKey
- RCRVMCSPZAMFKV-UHFFFAOYSA-N
- SMILES
- C12CC(C1(C)C)CCC2CCO
- LogP
- 3.288 · 3.288 (est)
- EPA
- 3.1 · Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl- (4747-61-9)
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 50% (1 of 2) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-
Other Safety InformationIMAP assessments - Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationBicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-: INACTIVE
응용 분야
용도Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-(Dihydronopol) is a natural constituent found in Nicotiana tabacum. It can be used as a flavouring ingredient.
상·하류 제품 정보
하류 제품
공급사79 곳
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湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
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