기본 정보
- CAS
13341-72-5- 표준 SMILES
CC1=C2CCC(C)CC2OC1=O- InChIKey
VUVQBYIJRDUVHT-UHFFFAOYSA-N- 분자식
- C10H14O2
- 평균 분자량
- 166.22 g/mol
- 단동위원소 질량
- 166.09937969
개요
Isomintlactone is a member of benzofurans.
이름 및 식별자
- 우선 이름
- Menthalactone
- IUPAC
- 3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
- 영어명
- FEMA 3764
- 분자식
- C10H14O2
- 분자량
- 166.22
이름 및 동의어
Mintlactone13341-72-5Menthalactonemint lactoneEWW1JFM9772(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-RefChem:5278315,6,7,7A-TETRAHYDRO-3,6-DIMETHYLBENZOFURAN-2(4H)-ONE236-390-62(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aR)-2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R-trans)-FEMA No. 3764
이름 더 보기
FEMA 3764Einecs 236-390-6MENTHALACTONE 99+%Menthalactone USP/EP/BPDIMETHYLTETRAHYDROBENZOFURANONE5,6,7,7a-tetrahydro-3,6-dimethyl-2(4h)-benzofuranon
X2T3I06CWR3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one(+)-Isomintlactone5,6,7,7a-Tetrahydro-3,6-dimethyl-2(4H)-benzofuranone5,6,7,7a-Tetrahydro-3,6-dimethyl-(4H)-benzofuran-2-oneUNII-EWW1JFM977SCHEMBL3529643,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
데이터베이스 식별자
- CAS
13341-72-5、75684-66-1- PubChem CID
- 94349
- DTXSID
DTXSID90884593- ChEBI
CHEBI:195777- EC Number
- 236-390-6
- Nikkaji
- J40.149H
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 253
실험 및 물리화학적 성질
FragrancesFragrance substance (Mintlactone) -> IFRA amendment 50
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.058-1.063
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in oil
soluble (in ethanol)
Boiling Point261-263 °C (6 mm Hg)
Melting Point77 - 79 °C
Refractive Index1.497-1.503
Physical Description
Solid
Liquid; herbaceous minty aroma
물리화학적 성질
- 끓는 점
- 87 · 87-89 °C25 mm Hg(lit.)
- 밀도
- 1.058 g/mL · 1.058 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
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 1550 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
IFRA Fragrance Standards
Mintlactone
Mintlactone; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl_x0002_3,6-Dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one; 3,6-Dimethyl-5,6,7,7a-tetrahydro-2(4H)benzo-furanone; 5,6,7,7a-Tetrahydro-3,6-dimethyl-(4H)-benzofuran-2-one; Dehydroxymenthofurolactone; Menthofurolactone; Mint furanone; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aR)-; (-)-Mintlactone
IFRA_STD_218.pdf
50
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-: ACTIVE
응용 분야
출처Reported found in peppermint and pennyroyal oil, Mentha arvensi
일반 설명Menthalactone occurs naturally in mint. It may be contributing to its analgesic activity.
제조 방법
By asymmetric dihydroxylation reaction from intrinsically disflavored diastereoface of alkene
공급사20 곳
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