기본 정보
- CAS
6379-73-3- 표준 SMILES
COc1cc(C(C)C)ccc1C- InChIKey
YVLHTQPPMZOCOW-UHFFFAOYSA-N- 분자식
- C11H16O
- 평균 분자량
- 164.24 g/mol
- 단동위원소 질량
- 164.12011513
개요
carvacrol methyl ether has been reported in Cyathocline purpurea, Crithmum maritimum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Carvacryl methyl ether
- IUPAC
- 2-methoxy-1-methyl-4-propan-2-ylbenzene
- 영어명
- Carvacrol methyl ether
- 분자식
- C11H16O
- 분자량
- 164.24
이름 및 동의어
Carvacrol methyl ether6379-73-3methylcarvacrolCarvacryl methyl ether5-Isopropyl-2-methylanisoleMethyl carvacryl etherMethyl carvacrolEther, carvacryl methylp-Cymene, 2-methoxy-O-methylcarvacrolAnisole, 5-isopropyl-2-methyl-p-Cymene-2-ol methyl ether
이름 더 보기
2-Methoxy-p-cymeneCarvacrol Me etherp-Cymene-2-olmethyletherIsothymol methyl etherCarvacrol methyl ether-RM
Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-2-Methoxy-4-(1-methylethyl)tolueneDTXSID00474002-methoxy-p-cymolVG90I876VIEINECS 228-959-2NSC 406512NSC-406512
데이터베이스 식별자
- CAS
6379-73-3- PubChem CID
- 80790
- DTXSID
DTXSID0047400- ChEMBL
CHEMBL464709- UNII
- VG90I876VI
- EC Number
- 228-959-2
- Nikkaji
- J206.985G
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 131
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Isopropyl-2-methoxy-1-methylbenzene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 끓는 점
- 217 °C · 217 °C
- 밀도
- 0.936 g/mL · 0.936 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.505
- 인화점
- 75 °C · 75 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- Liquid
- 색상
- Colorless to light yellow
- 냄새
- 100 %에서 · 100.00%에서. 허브 매운 잎이 많은 감귤류
- 냄새 유형
- 약초
- BRN
- 2412706 · 2412706
- 화장품 원료 기능
- 향수
- InChI
- 1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3
- InChIKey
- YVLHTQPPMZOCOW-UHFFFAOYSA-N
- SMILES
- CC1=C(OC)C=C(C(C)C)C=C1
- LogP
- 3.989 · 3.989 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 75.2% (124 of 165) of all reports.
Warning
H302 (24.2%): 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 165 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
Hazard Classes and CategoriesAcute Tox. 4 (24.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 23-24/25
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 2-methoxy-1-methyl-4-(1-methylethyl)-: ACTIVE
응용 분야
용도Carvacryl Methylether can be used to treat soft and solid tumors and proliferative diseases.
공급사57 곳
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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