Myristicin

1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- · Myristicine · MYRISTICIN · MYRISTICIN(SG) · Myristicine-RM · 5-methoxysafrole · MYRISTICIN WITH GC · Myristicin USP/EP/BP

https://huagongshe.com/ko/chemical/4276

식별자 및 물리적 특성

CAS No.	607-91-0
분자식	C11H12O3
평균 분자량	192.21 g/mol
단동위원소 질량	192.07864424 g/mol
SMILES	C=CCc1cc(OC)c2c(c1)OCO2
InChIKey	BNWJOHGLIBDBOB-UHFFFAOYSA-N
PubChem CID	4276
ChEMBL	CHEMBL481044
ChEBI	CHEBI:68234
EC No.	210-146-9
DTXSID	DTXSID1025693

화학 및 물리적 성질

XLogP	2.9
극성 표면적	27.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	14
형식 전하	0
복잡도	205
물질 분류	Biological Agents -> Plant Toxins
SpringerMaterials Properties	Boiling point
밀도	1.1416 at 20 °C g/cu cm1.143-1.145d2020 1.1437
용해도	Insoluble in water, slightly soluble in ethanol, soluble in ether and benzene.Practically insoluble to insoluble in waterSoluble (in ethanol)Soluble in acetone, ethanol and methanol
끓는 점	276.5 °C171.00 to 173.00 °C. @ 40.00 mm Hg250 °Cbp40 173°
녹는점	<-20 °C< -20 °C-20℃
증기압	0.00646 [mmHg]
굴절률	Index of refraction = 1.5403 at 20 °C/D1.539-1.541nD20 1.54032
Physical Description	Colorless liquid[Merck Index]Colourless oilWarm balsamic-woody aroma
Collision Cross Section	141.69 Å² [M+H]+ [CCS Type: DTMethod: stepped-field]140.8 Å² [M+H]+
Other Experimental Properties	0.183 kPa at 100 °C (1.3725 mm Hg)
저장 조건	2-8°C
물리적 상태	기름
색상	투명하고 연한 노란색
냄새	100.00%에서. 매콤하고 따뜻한 발사믹 우디
향취 유형	매운
용해도	물에 불용성
BRN	166218
헨리 상수	1.8×101 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	감광성
주요 응용	음식 및 음료
InChI	1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChIKey	BNWJOHGLIBDBOB-UHFFFAOYSA-N
SMILES	COc1cc(CC=C)cc2OCOc12
LogP(분배 계수)	2.586 (est)
NIST	1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-(607-91-0)

화학적 성질

Crystalline phenolic ether with a strongodor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 90.3% (130 of 144) of all reports.Not ClassifiedAggregated GHS information provided per 144 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 요약	Emergency treatment: Plants- nutmeg[HSDB] Toxicity occurs after ingestion of 1-3 whole nuts or 1-2 tablespoons of ground nutmegCNS symptoms predominate and may resemble the anticholinergic syndrome with flushing, dryness, tachycardia, hypertension, and delirium with resolution usually within 24 hoursHigher doses cause coma, and one fatal case has been reported[Goldfrank, p. 626] Effects in high-dose animal studies include general anesthesia and fatty liver degeneration[RTECS] An irritantTargets nerves[Sigma MSDS]
Hazard Classes and Categories	Not Classified
처리 방법	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
상호 작용	Simultaneous topical application of myristicin followed by paraoxon application, caused substantial incr in the toxicity of paraoxon. LD50 values indicated a 10-fold incr in paraoxon toxicity due to a topical application of myristicin at a sublethal dosage of 2 ug/fly.
건강 영향	Myristicin has neurotoxic effects and hallucinogenic properties. (L1271)
환경 거동	TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 950(SRC), determined from a structure estimation method(2), indicates that myristicin is expected to have low mobility in soil(SRC). Volatilization of myristicin from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.4X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Myristicin is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.5X10-3 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2007).

용도

개요

Myristicin is an alkenylbenzene present in small amounts in the essential oil of nutmeg that is reported to act as a serotonin receptor antagonist, a weak monamine oxidase inhibitor, and to produce hallucinogenic effects. Abuse of myristicin has led to fatal poisoning, which has prompted improved methods for HPLC determination of myristicin in human plasma. This product is intended for forensic and research purposes.

용도

A naturally occurring insecticide and acaricide with possible neurotoxic effects on neuroblastoma cells