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5466-77-3 molecular structure
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2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

ChemBase ID: 89680
Molecular Formular: C18H26O3
Molecular Mass: 290.39724
Monoisotopic Mass: 290.18819469
SMILES and InChIs

SMILES:
O(c1ccc(cc1)/C=C/C(=O)OCC(CCCC)CC)C
Canonical SMILES:
CCCCC(COC(=O)/C=C/c1ccc(cc1)OC)CC
InChI:
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3
InChIKey:
YBGZDTIWKVFICR-UHFFFAOYSA-N

Cite this record

CBID:89680 http://www.chembase.cn/molecule-89680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Traditional name
2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
parsol
Synonyms
2-Ethylhexyl trans-4-methoxycinnamate
4-Methoxycinnamic acid 2-ethylhexyl ester
OMC
Octyl methoxycinnamate
2-Ethylhexyl 4-methoxycinnamate
2-Ethylhex-1-yl 3-(4-methoxyphenyl)prop-2-enoate
2-Ethylhex-1-yl 3-(4-methoxyphenyl)acrylate
2-Ethylhex-1-yl 4-methoxycinnamate
2-Ethylhexyl 4-methoxycinnamate
Octinoxate
Ethylhexyl methoxycinnamate
Octinoxate
Uvinul MC80
(E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl ester
Octyl methoxycinnamate
2-Ethylhexyl 3-(4-methoxyphenyl)acrylate
反式-4-甲氧基肉桂酸异辛酯
CAS Number
5466-77-3
83834-59-7
EC Number
226-775-7
MDL Number
MFCD00072582
Beilstein Number
5946632
PubChem SID
162076543
24867352
PubChem CID
5355130
ATC CODE
D02BA02
CHEMBL
1200608
Chemspider ID
4511170
Unique Ingredient Identifier
4Y5P7MUD51
Wikipedia Title
Octyl_methoxycinnamate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3802204  LogD (pH = 7.4) 5.3802204 
Log P 5.3802204  Molar Refractivity 86.4404 cm3
Polarizability 33.703293 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-25 °C expand Show data source
Boiling Point
198-200 °C expand Show data source
198-200 °C/3 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
193 °C expand Show data source
193°C expand Show data source
235.4 °F expand Show data source
379.4 °F expand Show data source
Density
1.01 expand Show data source
1.01 g/cm3 expand Show data source
1.011 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.545 expand Show data source
n20/D 1.545(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
UD3392732 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
nwg expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H413 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
98% (GC) expand Show data source
Grade
analytical standard expand Show data source
Contains
600-1000 ppm BHT as stabilizer expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Pharmacopeia Traceability
traceable to USP 1477900 expand Show data source
Linear Formula
CH3OC6H4CH=CHCO2CH2CH(C2H5)(CH2)3CH3 expand Show data source
Empirical Formula (Hill Notation)
C18H26O3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 78848 external link
General description
OMC provides protection against UV induced cyclobutane pyrimidine dimer (CDP) formation, filtering UVB.1
Sigma Aldrich - 437174 external link
Packaging
50, 250 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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