欧芹叶油中的肉豆蔻苷

Description

myristicin from parsley leaf oil · CAS 607-91-0 · C11H12O3. UNII 04PD6CT78W. Boiling Point: 276.5 °C; Boiling Point: 171.00 to 173.00 °C. @ 40.00 mm Hg; Boiling Point: 250 °C.

Identification

CAS Registry Number	607-91-0
PubChem CID	4276
Molecular formula	C11H12O3
IUPAC name	4-methoxy-6-prop-2-enyl-1,3-benzodioxole
UNII (FDA)	04PD6CT78W
JECFA number	1791

Computed Descriptors

Molecular Weight	192.21
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	27.7
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	276.5 °C
Boiling Point	171.00 to 173.00 °C. @ 40.00 mm Hg
Boiling Point	250 °C
Melting Point	<-20 °C
Melting Point	< -20 °C
Density	1.1416 at 20 °C g/cu cm
Density	1.143-1.145
Vapor Pressure	0.00646 [mmHg]
Refractive Index	1.539-1.541
Collision Cross Section	140.8 Ų [M+H]+

Physical description & handling notes

• Colorless liquid; [Merck Index]
• Liquid
• Colourless oil; Warm balsamic-woody aroma
• Insoluble in water, slightly soluble in ethanol, soluble in ether and benzene.
• Practically insoluble to insoluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	Flavoring Agents
GHS notification summary	90.3% (130 / 144)

GHS Hazard Classification

GHS notification summary	90.3% (130 / 144)

Documented Uses

• An aromatic ether found in nutmeg, parsley, and carrots; [Merck Index] Thought to be the main active ingredient in nutmeg; [Goldfrank, p. 626]
• Myristicin [5-allyl-1-methoxy-2,3-(methylenedioxy)benzene] is a flavoring plant constituent and has been known to produce significant psychopharmacological responses as well as insecticidal activity.
• Myristicin is a plant toxin found in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill. It is a naturally occurring insecticide and acaricide. (L1271)
• Flavoring Agents -> JECFA Flavorings Index
• ... it is to be recognized that as much as 6 percent of safrole, a weak hepatocarcinogen, is reported to be present in the essential oil of East Indian nutmeg, the major U.S. source. In 1960 FDA prohibited the use of safrole in food. Moreover, the closely related methoxy derivative of safrole, myristicin, is also present in some nutmeg oils in amounts approximating 5 percent.
• THE AROMATIC FRACTION OF OIL OF NUTMEG, OBTAINED FROM 20 G OF NUTMEG, WAS REPORTED TO CONSIST OF: MYRISTICIN 210 MG; ELEMICIN 2 MG; EUGENOL 5 MG; ISOEUGENOL 6 MG; METHYLEUGENOL 18 MG; METHYLISOEUGENOL 11 MG; METHOXYEUGENOL 8 MG. NUTMEGS USUALLY CONTAIN FROM 5 TO 15% VOLATILE OIL, DEPENDING UPON GEOGRAPHIC ORIGIN AND LENGTH OF STORAGE.

Synonyms

Myristicin; 607-91-0; 6-Allyl-4-methoxy-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; DTXSID1025693; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; 04PD6CT78W; DTXCID605693; RefChem:819742; 210-146-9; Myristicine; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; MFCD00133549; 6-allyl-4-methoxybenzo[d][1,3]dioxole

Frequently Asked Questions

What are the CAS number and molecular formula of myristicin from parsley leaf oil?

CAS 607-91-0; molecular formula C11H12O3; molecular weight — g/mol.

What other names is myristicin from parsley leaf oil known by?

Myristicin, 607-91-0, 6-Allyl-4-methoxy-1,3-benzodioxole, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-, 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene, DTXSID1025693.

What is the regulatory status of myristicin from parsley leaf oil?

Documented regulatory listings: Flavoring Agents.

Is myristicin from parsley leaf oil classified as hazardous?

90.3% of GHS notifications report no hazard classification (130 of 144).

What are the key physical properties of myristicin from parsley leaf oil?

Boiling Point: 276.5 °C; Boiling Point: 171.00 to 173.00 °C. @ 40.00 mm Hg; Boiling Point: 250 °C; Melting Point: <-20 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.