에버니네이트메틸

Sparassol

HCID 596344CAS 520-43-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1c(C)cc(OC)cc1O
InChIKey: PFVPJOAAHSOENR-UHFFFAOYSA-N
분자식: C10H12O4
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.07355886

이름 및 식별자

우선 이름: Sparassol
IUPAC: methyl 2-hydroxy-4-methoxy-6-methylbenzoate
현지명: 에버니네이트메틸
영어명: Everninate methyl
분자식: C10H12O4
분자량: 196.2

이름 및 동의어

SparassolMethyl everninateMethyl 2-hydroxy-4-methoxy-6-methylbenzoateSparassol [MI]UNII-49LGW9K0EH49LGW9K0EHMethyl 4-methoxy-6-methylsalicylate2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl esterRefChem:184528Methyl 2-hydroxy-4-methoxy-6-methylbenzoic acidPFVPJOAAHSOENR-UHFFFAOYSA-N520-43-4

이름 더 보기

에버니네이트메틸Methoxyprotene impurity 3Methoxyprene impurities 34-Methoxy-2,6-cresotic acid methylOrsellinic acid methyl ester 4-methyl ether2-Methyl-4-methoxy-6-hydroxybenzoic acid methyl ester

Everninate methylBenzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester2-Hydroxy-4-methoxy-6-methyl-benzoic acid methyl esterSpectrum2_000404Spectrum3_000264Spectrum4_000951Spectrum5_001794METHYL EVERNINIC ACID

데이터베이스 식별자

CAS: 520-43-4
PubChem CID: 596344
DTXSID: DTXSID901028412
ChEMBL: CHEMBL1595401
ChEBI: CHEBI:92544
UNII: 49LGW9K0EH
Nikkaji: J6.602H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 204

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1550；1546

1580

물리화학적 성질

녹는점: 67 · 67-68°; mp 170°
끓는 점: 302.6 · 302.6±37.0 °C(Predicted)
밀도: 1.181 · 1.181±0.06 g/cm3(Predicted)
용해도: Slightly soluble in cold water and cold alcohol, soluble in hot water and hot alcohol, freely soluble in oils.
산도 계수 (pKa): 9.49 · 9.49±0.15(Predicted)
냄새: Sweet, somewhat earthy-musty odor of excellent tenacity.

화학 및 산업

제조 방법 · 1건

생산 방법Everninate methyl can be produced:1) by Methylesterification of Eveminic acid. This esterification takes place to a measurable degree when Oakmoss is extracted with Methyl alcohol. Eveminic acid is also a product of alkaline hydrolysis of Evemic acid which occurs naturally in Oakmoss. Evemic acid can be synthesized via Evemic aldehyde. This aldehyde is considered as an important odor factor of Oakmoss.2) from Methylorsellinate plus Diazomethane.

공급사8 곳

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