4,6-디메틸-2-피론
Mesitene lactone
기본 정보
- CAS
675-09-2- 표준 SMILES
Cc1cc(C)oc(=O)c1- InChIKey
IXYLIUKQQQXXON-UHFFFAOYSA-N- 분자식
- C7H8O2
- 평균 분자량
- 124.14 g/mol
- 단동위원소 질량
- 124.05242949
이름 및 식별자
- 우선 이름
- Mesitene lactone
- IUPAC
- 4,6-dimethylpyran-2-one
- 현지명
- 4,6-디메틸-2-피론
- 영어명
- 4,6-Dimethyl-2-pyrone
- 분자식
- C7H8O2
- 분자량
- 124.14
이름 및 동의어
4,6-Dimethyl-2H-pyran-2-one4,6-Dimethyl-2-pyrone675-09-2Mesitene lactone4,6-dimethylpyran-2-one4,6-Dimethylcoumalin2H-PYRAN-2-ONE, 4,6-DIMETHYL-4,6-Dimethyl-alpha-pyrone2,4-Dimethyl-alpha-pyrone2,4-Dimethyl-.alpha.-pyrone4,6-Dimethyl-.alpha.-pyroneG2MA4KIQ1B
이름 더 보기
4,6-디메틸-2-피론JTJ-1-5LEVISTAMEL4,6-dimethyl-α-pyrone4,6-Dimethyl-α-pyrone4,6-DIMETHYL-PYRAN-2-ONE
EINECS 211-618-7NSC 402790BRN 00024684,6-dimethyl-2-pyranoneNSC-402790Sorbic acid, 5-hydroxy-3-methyl-, .delta.-lactoneDTXSID60609735-17-09-00409 (Beilstein Handbook Reference)
데이터베이스 식별자
- CAS
675-09-2- PubChem CID
- 12662
- DTXSID
DTXSID6060973- ChEMBL
CHEMBL372284- UNII
- G2MA4KIQ1B
- EC Number
- 211-618-7
- Nikkaji
- J51.181A
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 199
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4,6-Dimethyl-2H-pyran-2-one) -> IFRA transparency List
물리화학적 성질
- 녹는점
- 48 · 48-50 °C (lit.)
- 끓는 점
- 170.92 °C · 170.92°C (rough estimate)
- 밀도
- 1.0538 · 1.0538 (rough estimate)
- 굴절률
- 1.381 · 1.3810 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 결정질 저융점 질량
- 색상
- 노란색
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 달콤한 카라멜 설탕 녹색 감초 발삼 미식가
- 냄새 유형
- 캐러멜 같은
- 수용성
- 242.4 g/L · 242.4g/L(59.7℃)
- 화장품 원료 기능
- 향수
- InChI
- 1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
- InChIKey
- IXYLIUKQQQXXON-UHFFFAOYSA-N
- SMILES
- CC1=CC(C)=CC(=O)O1
- LogP
- 0.185 · 0.185 (est)
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 2H-Pyran-2-one, 4,6-dimethyl-
Other Safety InformationIMAP assessments - 2H-Pyran-2-one, 4,6-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UQ0700000
- HS 번호
- 29322985
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information2H-Pyran-2-one, 4,6-dimethyl-: ACTIVE
응용 분야
용도4,6-Dimethyl-α-pyrone (Me21) has been used in the preparation of G4C{Me21} via reacting with tetra-p-sulfocalix[4]arene (C) and guanidine hydrochloride (GCl). It may be used in the preparation of host-guest complex G4C{Me21} by reacting with crystalline guanidinium-sulfonate-calixarene (G4C). This complex on UV irradiation afforded 1,3-dimethylcyclobutadiene (Me2CBD).
일반 설명4,6-Dimethyl-α-pyrone was immobilized in a guanidinium-sulfonate-calixarene (G4C) crystalline network, which upon exposure to ultraviolet irradiation, transforms the entrapped 4,6-dimethyl-α-pyrone into a 4,6-dimethyl-β-lactone. Thin solid films layers of 4,6-dimethyl-α-pyrone on UV irradiation at -190°C were investigated.
상·하류 제품 정보
상류 원료
관련 반응
1건
화합물 노트
불러오는 중…