Ethyl 2,4-dihydroxy-6-methylbenzoate

Ethyl 2,4-dihydroxy-6-methylbenzoate 구조식 이미지
카스 번호:
2524-37-0
상품명:
Ethyl 2,4-dihydroxy-6-methylbenzoate
동의어(영문):
Ethyl orsellinate;ORSELLINIC ACID, ETHYL ESTER;4-CARBETHOXY-5-METHYLRESORCINOL;2-CARBETHOXY-3,5-DIHYDROXYTOLUENE;4-ETHOXYCARBONYL-5-METHYLRESORCINOL;ETHYL 2,4-DIHYDROXY-6-METHYLBENZOATE;2-ETHOXYCARBONYL-3,5-DIHYDROXYTOLUENE;Ethyl 2,4-Dihydroxy-6-methylbenzoate >ETHYL 2,4-DIHYDROXY-6-METHYLBENZOATE, 98 %;2,4-dihydroxy-6-methyl-benzoicaciethylester
CBNumber:
CB1400139
분자식:
C10H12O4
포뮬러 무게:
196.2
MOL 파일:
2524-37-0.mol

Ethyl 2,4-dihydroxy-6-methylbenzoate 속성

녹는점
129-132 °C(lit.)
끓는 점
293.08°C (rough estimate)
밀도
1.2166 (rough estimate)
굴절률
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±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
2.910 (est)
CAS 데이터베이스
2524-37-0(CAS DataBase Reference)
EPA
Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester (2524-37-0)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36/37/38
안전지침서 26-37/39
WGK 독일 3
HS 번호 2916399090
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P271 옥외 또는 환기가 잘 되는 곳에서만 취급하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
0
2 0

Ethyl 2,4-dihydroxy-6-methylbenzoate C화학적 특성, 용도, 생산

일반 설명

Ethyl 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.

Structure and conformation

The mol-ecular structure of Ethyl 2,4-dihydroxy-6-methylbenzoate contains a methyl group, two hydroxyl groups, and a carboeth-oxy group, which are attached to C2, C4, C6 and C7 of the central benzene ring, respectively. An intra-molecular O3—H3···O1 hydrogen bond stabilizes the mol-ecular conformation. In the crystal, O4—H4···O3i and C3—H3A···O4ii hydrogen bonds link the mol-ecules into double strands parallel to the direction. In the solid state, the compound also forms offset slanted stacks of alternating inversion-related mol-ecules along the a-axis direction[1].

Ethyl 2,4-dihydroxy-6-methylbenzoate 준비 용품 및 원자재

원자재

준비 용품


Ethyl 2,4-dihydroxy-6-methylbenzoate 공급 업체

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