기본 정보
- CAS
111957-74-5- 표준 SMILES
CC1(C)C2CC=C(CO)C1C2- InChIKey
RXBQNMWIQKOSCS-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
- 단동위원소 질량
- 152.12011513
개요
myrtenol has been reported in Artemisia thuscula, Alpinia latilabris, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (+-)-Myrtenol
- IUPAC
- (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
- 영어명
- (-)-MYRTENOL
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
Myrtenol515-00-42-PINEN-10-OLBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-FEMA No. 34396,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanolBicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-DTXSID00862089pin-2-ene-10-ol6,6-dimethyl-2-oxymethylbicyclo(1.1.3)hept-2-ene
이름 더 보기
(-)-Myrtenol(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanolBenihinolNSC 408846(±)-Myrtenol(-)-MYRTENOL 97%Pina-2-ene-10-ol
(6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)methanol(+-)-MyrtenolRefChem:819777DTXCID00218168(6,6-dimethyl-4-bicyclo(3.1.1)hept-3-enyl)methanol208-193-5933-307-1(-)-MYRTENOL, 97
데이터베이스 식별자
- CAS
111957-74-5、515-00-4、6712-78-3- PubChem CID
- 10582
- DTXSID
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 203
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (Myrtenol) -> IFRA transparency List
LogP3.220
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.976-0.983
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and propylene glycol; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
221 °C
Refractive Index1.490-1.500
Physical DescriptionColourless or pale straw-coloured liquid; Warm-herbaceous, slightly woody and discretely medicinal-camphoraceous odour of moderate to poor tenacity
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1402 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Bicyclo3.1.1hept-2-ene-2-methanol, 6,6-dimethyl-: 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 - Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-11232
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: ACTIVE
응용 분야
출처Reported found in cranberry, bilberry, blackberry, raspberry, strawberry, Virginia tobacco, mandarin and lime peel oil, melon, ginger, peppermint and Scotch spearmint oil, pepper, parsley, Gruyere cheese, hop oil, Bourbon vanilla, cognac, tea, laurel, myrtle leaf, myrtle oil, buchu oil, lemon balm, lamb’s lettuce, Roman chamomile oil, eucalyptus oil and mastic gum and leaf oil.
용도Myrtenol (cas# 515-00-4) is used in mosquito attractant compositions.
제조 방법
Can be obtained in d,l-form from α-pinene with SeO2 in ethanol.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
4건
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