기본 정보
- CAS
18368-91-7- 표준 SMILES
CCC1(O)C2(C)CCC(C2)C1(C)C- InChIKey
KIPCKEJKGCXRGA-UHFFFAOYSA-N- 분자식
- C12H22O
- 평균 분자량
- 182.3 g/mol
- 단동위원소 질량
- 182.16706532
개요
2-ethylfenchol is a tertiary alcohol, a fenchane monoterpenoid and a carbobicyclic compound. It has a role as a fragrance and a plant metabolite.
이름 및 식별자
- 우선 이름
- 2-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-ol
- IUPAC
- 2-ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
- 영어명
- 2-Ethylfenchol
- 분자식
- C12H22O
- 분자량
- 182.3
이름 및 동의어
18368-91-72-Ethyl fenchol2-ETHYL-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-OLFEMA No. 3491OH8YI97N622-Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-olDTXSID301014528RefChem:1063006DTXCID0021670242-243-72-Ethylfenchol2-Ethyl-1,3,3-trimethyl-2-norbornanol
이름 더 보기
TERRASOL FCCTERRASOL 50ETHYLFENCHOL1 6-HEXANEDITHIOL 97+%2-Ethylfenchol >=97%, FCC, FGBicyclo2.2.1heptan-2-ol, 2-ethyl-1,3,3-trimethyl-
Ethyl fenchol67952-68-5FEMA 3491Ethyl-1,3,3-trimethylbicyclo(2.2.1)heptan-2-olMFCD00036629Bicyclo(2.2.1)heptan-2-ol, 2-ethyl-1,3,3-trimethyl-Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-Bicyclo(2.2.1)heptan-2-ol, ethyl-1,3,3-trimethyl-
데이터베이스 식별자
- CAS
18368-91-7、67952-68-5- PubChem CID
- 106997
- DTXSID
DTXSID301014528- ChEBI
CHEBI:233234
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 233
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (2-Ethyl-1,3,3-trimethyl-2-norbornanol) -> IFRA transparency List
Fragrance Ingredient (Ethyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.946-0.967
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, propylene glycol, most fixed oils; insoluble in water
(in ethanol)
Boiling Point232 °C
Refractive Index1.470-1.491
Physical Descriptioncolourless to pale yellow liquid with a sharp, camphoraceous odour
물리화학적 성질
- 끓는 점
- 105 °C15 · 105 °C15 mm Hg(lit.)
- 밀도
- 0.956 g/mL · 0.956 g/mL at 25 °C(lit.)
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 100% (123 of 123) of all reports.
Not Classified
Aggregated GHS information provided per 123 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Norbornanol, 2-ethyl-1,3,3-trimethyl-
Chemical: Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Bicyclo2.2.1heptan-2-ol, 2-ethyl-1,3,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-: Environment tier I assessment
IMAP assessments - 2-Norbornanol, 2-ethyl-1,3,3-trimethyl-: Environment tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Bicyclo[2.2.1]heptan-2-ol, 2-ethyl-1,3,3-trimethyl-: ACTIVE
Bicyclo[2.2.1]heptan-2-ol, ethyl-1,3,3-trimethyl-: ACTIVE
상·하류 제품 정보
상류 원료
공급사7 곳
PENTA[email protected]
PFALTZ-BAUER[email protected]
BDOUKIAN-IP[email protected]
北京北大正元科技有限公司[email protected]
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
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