Ethyl orsellinate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
2524-37-0- 표준 SMILES
CCOC(=O)c1c(C)cc(O)cc1O- InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N- 분자식
- C10H12O4
- 평균 분자량
- 196.2 g/mol
- 단동위원소 질량
- 196.07355886
개요
2,4-dihydroxy-6-methylbenzoic acid ethyl ester is a 4-hydroxybenzoate ester.
이름 및 식별자
- 우선 이름
- Ethyl orsellinate
- IUPAC
- ethyl 2,4-dihydroxy-6-methylbenzoate
- 영어명
- Ethyl 2,4-dihydroxy-6-methylbenzoate
- 분자식
- C10H12O4
- 분자량
- 196.2
이름 및 동의어
Ethyl 2,4-dihydroxy-6-methylbenzoate2524-37-0Ethyl orsellinateOrsellinic acid, ethyl esterBenzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Estero-Orsellinic acid, ethyl ester3035H4GP23.beta.-Resorcylic acid, 6-methyl-, ethyl esterUNII-3035H4GP23NSC 149781NSC-149781
이름 더 보기
2,4-dihydroxy-6-methylbenzoate4-CARBETHOXY-5-METHYLRESORCINOL2-CARBETHOXY-3,5-DIHYDROXYTOLUENE4-ETHOXYCARBONYL-5-METHYLRESORCINOL2-ETHOXYCARBONYL-3,5-DIHYDROXYTOLUENEEthyl 2,4-Dihydroxy-6-methylbenzoate >ETHYL 2,4-DIHYDROXY-6-METHYLBENZOATE, 98 %
DTXSID4062488beta-Resorcylic acid, 6-methyl-, ethyl esterRefChem:139029DTXCID4037245Ethyl 2,4-dihydroxy-6-methylbenzoic acidbeta-Resorcylic acid, 6-methyl-, ethyl ester (8CI)623-214-1InChI=1/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H
데이터베이스 식별자
- CAS
2524-37-0- PubChem CID
- 75653
- DTXSID
DTXSID4062488- ChEMBL
CHEMBL1601166- ChEBI
CHEBI:113535- UNII
- 3035H4GP23
- EC Number
- 623-214-1
- Nikkaji
- J382.972C
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 204
물리화학적 성질
- 녹는점
- 129 · 129-132 °C(lit.)
- 끓는 점
- 293.08 °C · 293.08°C (rough estimate)
- 밀도
- 1.2166 · 1.2166 (rough estimate)
- 굴절률
- 1.543 · 1.5430 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.27 · 8.27±0.23(Predicted)
- 색상
- 흰색에서 회색, 갈색까지
- InChI
- InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
- InChIKey
- UQSRXQMIXSZGLA-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=C(C)C=C(O)C=C1O
- LogP
- 2.91 · 2.910 (est)
- EPA
- 2 · Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester (2524-37-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2916399090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester: ACTIVE
응용 분야
일반 설명Ethyl 2,4-dihydroxy-6-methylbenzoate is also referred as ethyl orsellinate. It was isolated from chloroform extract of Peltigera aphthosa. It is one of the product formed during alcoholyses of lecanoric acid.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
2건
화합물 노트
불러오는 중…