5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
기본 정보
- CAS
11031-45-1- 표준 SMILES
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)CO.CC(=CCC[C@]1(C)C2CC3[C@H](C2)C31C)CO- InChIKey
MDCTURIGCBTRQI-DYLPIWLKSA-N- 분자식
- C30H48O2
- 평균 분자량
- 440.7 g/mol
- 단동위원소 질량
- 440.36543077
이름 및 식별자
- 우선 이름
- 5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
- IUPAC
- 5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
- 영어명
- SANTALOL
- 분자식
- C15H24O
- 분자량
- 220.35
이름 및 동의어
5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-olMDCTURIGCBTRQI-DYLPIWLKSA-N5-(2,3-dimethyltricyclo[2.2.1.0~2,6~]hept-3-yl)-2-methylpent-2-en-1-ol (alpha form) & 2-Methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)pent-2-en-1-ol (beta form)5-(dimethyl[?]yl)-2-methyl-pent-2-en-1-ol; 2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-olβ-Santalol2-PENTEN-1-OL, 5-(2,3-DIMETHYL TRICYCLO [2.2.1.0(2,6)] HEPT-3-YL)-2-METHYLFEMA 3006CIS-ALPHA-SANTALOLD-ALPHA-SANTALOL2-Methyl-5-((1S,2S,4R)-2-Methyl-3-Methylenebicyclo[2.2.1]heptan-2-yl)pent-2-en-1-olSANTALOLA AND B-SANTALOL
이름 더 보기
2-Methyl-5-((1S,2S,4R)SANTALOL (ALPHA AND BETA )
물성
구조 계산 물성
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 647
물리화학적 성질
- 밀도
- 0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.507(lit.)
- FEMA
- 3006 · 3006 | SANTALOL (ALPHA AND BETA )
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- 냄새
- 100 %에서 · 100.00%에서. 깊고 달콤한 샌들우드 우디
- 냄새 유형
- 우디
- JECFA Number
- 984 · 984
- 끓는 점
- 101 · 101-103°C/0.1 mmHg(lit.)
- 화장품 원료 기능
- 향수
- InChI
- InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+
- InChIKey
- OJYKYCDSGQGTRJ-VZUCSPMQSA-N
- SMILES
- C1(C)(CC/C=C(\C)/CO)C(=C)C2CCC1C2
- LogP
- 4.65 · 4.65
- EPA
- Santalol (11031-45-1)
화학적 성질
Santalol (α- and β-) has a sweet, sandalwood odor.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
출처The stereochemistry of santalols has been discussed by Brieger (Burdock, 1995); santalols are found among the constituents of various sandalwood species (Santalum album L., S. spicatum, S. autrocaledonicum); the α- and β-isomers are present in varying ratios, with the α-isomer usually more abundant.
용도Santalol is a flavoring agent that is a colorless or pale yellow liquid, with odor resembling sandalwood. it is soluble in alcohol, fixed oils, mineral oil, and propylene glycol; and insoluble in water and glyc- erin. it is obtained from a sandalwood oil source.
상·하류 제품 정보
상류 원료
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