Linalool oxide (5-ring)
기본 정보
- CAS
1365-19-1- 표준 SMILES
CC(C)=CCCC(C)(O)C1CO1- InChIKey
BXOURKNXQXLKRK-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067982
개요
linalool dihydroepoxide has been reported in Camellia sinensis, Magnolia officinalis, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Linalool oxide (5-ring)
- IUPAC
- 6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol
- 영어명
- Epoxydihydrolinalool
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
Linalool oxide (5-ring)RefChem:7991986-methyl-2-(oxiran-2-yl)hept-5-en-2-olEpoxydihydrolinaloolUNII-4UJJ55KMCSEINECS 215-723-9SCHEMBL8914313,7-DIMETHYL-1,2-EPOXY-3-HYDROXY-6-OCTENEDTXSID00859631AKOS025295522AS-56588NS00012788
이름 더 보기
LINALOOL OXIDE5β-Ethenyltetrahydro-α,α,5-trimethyl-2α-furanmethanol(2S)-α,α,5-Trimethyl-5β-ethenyltetrahydrofuran-2α-methanolLinalool Oxide 7852501Epoxydihydrolinalool USP/EP/BPEpoxydihydrolinalool, mixture of isomersEpoxydihydrolinalool, 96%, mixture of isomers5β-Ethenyltetrahydro-α,α,5-trimethylfuran-2α-methanol
6-Methyl-2-(2-oxiranyl)-5-hepten-2-ol #alpha-methyl-alpha-[4-methyl-3-pentenyl]oriranemethanolalpha-methyl-alpha-[4-methyl-3-pentenyl]oxirane-methanolalpha-Methyl-alpha-[4-methyl-3-pentenyl]oxiranemethanol.alpha.-Methyl-.alpha.-[4-methyl-3-pentenyl]oxiranemethanol
데이터베이스 식별자
- CAS
1365-19-1- PubChem CID
- 102611
- DTXSID
DTXSID00859631- Nikkaji
- J354.663B
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 32.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 182
물리화학적 성질
- 끓는 점
- 188 · 188 ºC
- 밀도
- 0.935 · 0.935-0.950
- 굴절률
- 1.44 · 1.440-1.460
- 인화점
- 63 · 63 ºC
- 냄새
- 100 %에서 · 100.00%에서. 꽃무늬 허브 흙빛 녹색
- 냄새 유형
- 꽃향기
- Henry's Law Constant
- 3 · 3.0×102 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- 화장품 원료 기능
- 향수
- LogP
- 2.15 · 2.15
- EPA
- Linalool oxide (1365-19-1)
화학적 성질
Linalool Oxide has been identified in essential oils and in fruit aromas. Commercial linalool oxide is a mixture of the cis and trans forms, [5989-33-3] and [34995-77-2], respectively. It is a liquid with an earthy, floral, slightly bergamot-like odor.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29329990
- 기존화학 물질
- KE-11615
화학 및 산업
응용 분야
개요Linalool oxide has a powerful sweet woody, penetrating odor with floral, woody-earthy undertones.Synthesis: From linalool by oxidation.
출처Reported found in apricot, apricot essence, bilberry, Mindanaese cinnamomum oil, citrus fruit blossom, cloud berry oil, cocoa, cocoa powder, coffee, roaster coffee, cranberry, black currant, grape, muscat grape juice, Vinifera grape, grapefruit blossoms, grapefruit essence, grapefruit juice, grapefruit oil, Japanese Ho leaf oil, hops, hop oil, lavender essence, lavandin oil, lime essence, lingonberry juice, mango, orange essence, orange juice, passion fruit and other natural sources.
용도Linalool oxide finds some use in artificial Lavandin and Lavender bases.
제조 방법
Linalool oxide is prepared by oxidation of linalool, for example, with peracids. The isomeric compound 2,2,6-trimethyl-6-vinyltetrahydro-2H-pyran-3-ol [14049-11-7], which also occurs in nature, is formed as a by-product:
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