기본 정보
- CAS
491-04-3- 표준 SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)ccc1O- InChIKey
VBIRCRCPHNUJAS-AFHBHXEDSA-N- 분자식
- C20H20O6
- 평균 분자량
- 356.4 g/mol
- 단동위원소 질량
- 356.12598835
개요
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol is a furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin. It has a role as a plant metabolite. It is a lignan, a member of phenols, an aromatic ether, a member of benzodioxoles and a furofuran.
이름 및 식별자
- 우선 이름
- Piperitol
- IUPAC
- 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
- 영어명
- (+)-Regiomontanin
- 분자식
- C20H20O6
- 분자량
- 356.37
이름 및 동의어
Piperitol4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol4-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenolRefChem:8636081-Methyl-4-isopropyl-1-cyclohexen-3-ol2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-3-Hydroxy-4-isopropyl-1-methylcyclohexene491-04-37UM0ILT6I7FEMA No. 3179Piperitol (monoterpene)(+)-piperitol
이름 더 보기
(+)-Regiomontanin(+)-RegiomontaninPhenol, 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxy-
52151-92-5RegiomontaninCLA6B4LBF3Sesamin monocatechol 3-methylate4-((1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxyphenol4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenolPhenol, 4-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-UNII-CLA6B4LBF3
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 501
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Organic Compounds
OdorFRESH PUNGENT ODOR
TasteFRESH PUNGENT TASTE
Color/FormCRYSTALS
Boiling PointBP: 57 °C; SPECIFIC GRAVITY: 0.9217 @ 25 °C /TRANS-, DL-/
Melting PointMP: 36 °C; OPTICAL ROTATION: -246 DEG @ 17 °C (C= 2 IN BENZENE) /CIS-, L-/; MP: 28 °C /CIS-, DL-/
Refractive IndexSPECIFIC GRAVITY: 0.9203 @ 25 °C; INDEX OF REFRACTION: 1.4762 @ 25 °C; OPTICAL ROTATION: +28 DEG @ 17 °C (C= 2 IN BENZENE) /TRANS-, D-/
Physical DescriptionSolid with a pungent odor; [HSDB]
Other Experimental PropertiesCIS- AND TRANS-FORM OPTICALLY ACTIVE
물리화학적 성질
- 끓는 점
- 527.3 · 527.3±50.0 °C(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummarySafe when used as a flavoring agent in food; [JECFA]
독성 정보
Natural Pollution SourcesREPORTED FOUND IN SEVERAL NATURALLY OCCURRING OILS, ORIGINALLY ISOLATED FROM THE OIL OF EUCALYPTUS RADIATA.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
용도 및 제조
Uses
Used as a flavoring ingredient; [HSDB]
SYNTHETIC FLAVORING INGREDIENT
Methods of Manufacturing...BY REDUCTION OF RACEMIC PIPERITONE WITH LITHIUM ALUMINUM HYDRIDE OR ALUMINUM ISOPROPOXIDE, THE D-FORM IS ISOLATED FROM NATURAL SOURCES.
General Manufacturing Information
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-: INACTIVE
FEMA NUMBER 3179
REPORTED USES: NON-ALCOHOLIC BEVERAGES, ICE CREAM, ICES, CANDY 20.0 PPM.
공급사28 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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