7-메틸쿠마린

7-Methylcoumarin

HCID 17131

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2445-83-2
표준 SMILES: Cc1ccc2ccc(=O)oc2c1
InChIKey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
분자식: C10H8O2
평균 분자량: 160.17 g/mol
단동위원소 질량: 160.0524295

개요

7-Methylcoumarin is a member of coumarins.

이름 및 식별자

우선 이름: 7-Methylcoumarin
IUPAC: 7-methylchromen-2-one
현지명: 7-메틸쿠마린
영어명: 7-METHYLCOUMARIN
분자식: C10H8O2
분자량: 160.17

이름 및 동의어

7-Methylcoumarin2445-83-27-methylchromen-2-one2H-1-Benzopyran-2-one, 7-methyl-COUMARIN, 7-METHYL-7-Methyl-2H-1-benzopyran-2-oneYCN83T03QUNSC-19511DTXSID0062424RefChem:106374DTXCID4037083219-499-3

이름 더 보기

7-메틸쿠마린7-methyl-coumariMETHYLCOUMARIN,7-7-Methylcoumarin>7-METHYLCOUMARIN, 98+%METHYLCOUMARIN, 7-(RG)

7-Methyl-2H-chromen-2-one7-Methylcumarin7-Methyl coumarinMFCD000068807-Methyl-chromen-2-oneNSC195117-Methyl-CoumarinEINECS 219-499-3

데이터베이스 식별자

CAS: 2445-83-2
PubChem CID: 17131
DTXSID: DTXSID0062424
ChEMBL: CHEMBL346541
ChEBI: CHEBI:166605
UNII: YCN83T03QU
EC Number: 219-499-3
Nikkaji: J118.426A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 220

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

FragrancesFragrance substance (7-Methylcoumarin) -> IFRA amendment 40

물리화학적 성질

녹는점: 128 · 128-130 °C (lit.)
끓는 점: 171 · 171-172 °C/11 mmHg (lit.)
밀도: 1.0924 · 1.0924 (rough estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: -20 °C · Store at -20°C
물리적 상태: Solid
색상: White to off-white
냄새: 100 %에서 · 100.00%에서. 스위트 쿠마린 통카 코코넛 파우더리
냄새 유형: 통카
InChI: 1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
InChIKey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
SMILES: Cc1ccc2C=CC(=O)Oc2c1
LogP: 2.274 · 2.274 (est)
EPA: 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-methyl- (2445-83-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2H-1-Benzopyran-2-one, 7-methyl-

2H-1-Benzopyran-2-one, 7-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Coumarins: Human health tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GN7792100
독성: mouse,LD50,subcutaneous,258mg/kg (258mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.
HS 번호: 2932209088
risk_code: 23/24/25
safety_code: 1-13-45
스토리지 클래스: 11 - Combustible Solids