Home > Compound List > Compound details
6379-72-2 molecular structure
click picture or here to close

1,2-dimethoxy-4-(prop-1-en-1-yl)benzene

ChemBase ID: 107048
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
COc1ccc(/C=C/C)cc1OC
Canonical SMILES:
C/C=C/c1ccc(c(c1)OC)OC
InChI:
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3
InChIKey:
NNWHUJCUHAELCL-UHFFFAOYSA-N

Cite this record

CBID:107048 http://www.chembase.cn/molecule-107048.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxy-4-(prop-1-en-1-yl)benzene
1,2-dimethoxy-4-[(1E)-prop-1-en-1-yl]benzene
IUPAC Traditional name
methyl isoeugenol
isoeugenyl methyl ether
Synonyms
3,4-DIMETHOXYPROPENYLBENZENE
1,2-Dimethoxy-4-propenylbenzene
1,2-Dimethoxy-4-propenylbenzene
Isoeugenyl methyl ether
Methyl isoeugenol
trans-Methylisoeugenol
(E)-1,2-dimethoxy-4-(prop-1-en-1-yl)benzene
Isomethyleugenol
Methylisoeugenol
4-Propenylveratrole
Methyl isoeugenol
1,2-二甲氧基-4-丙烯基苯
1,2-二甲氧基-4-丙烯基苯
异丁香酚甲醚
异丁香酚甲醚
CAS Number
6379-72-2
93-16-3
EC Number
202-224-6
MDL Number
MFCD00009282
PubChem SID
24901120
162093266
PubChem CID
637776
CHEBI ID
6877
Chemspider ID
553362
FEMA ID
2476
KEGG ID
C10478
Wikipedia Title
Methyl_isoeugenol
Council of Europe Number
186
Flavis Number
4.013

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7812405  LogD (pH = 7.4) 2.7812405 
Log P 2.7812405  Molar Refractivity 54.3442 cm3
Polarizability 20.726831 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
Oil expand Show data source
Melting Point
98-100 °C(lit.) expand Show data source
Boiling Point
262-264 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.05 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.568(lit.) expand Show data source
Organoleptic
spicy expand Show data source
RTECS
CZ7000000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Safety Statements
R expand Show data source
Regulation Compliance
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98% expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Description
Isomers expand Show data source
mixture of isomers expand Show data source
Linear Formula
CH3CH=CHC6H3(OCH3)2 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202352 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W247618 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
10 kg in poly drum
250 g in poly bottle
Sigma Aldrich - D136905 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle