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2210-79-9 molecular structure
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2-(2-methylphenoxymethyl)oxirane

ChemBase ID: 149528
Molecular Formular: C10H12O2
Molecular Mass: 164.20108
Monoisotopic Mass: 164.08372962
SMILES and InChIs

SMILES:
Cc1ccccc1OCC1CO1
Canonical SMILES:
Cc1ccccc1OCC1CO1
InChI:
InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3
InChIKey:
KFUSXMDYOPXKKT-UHFFFAOYSA-N

Cite this record

CBID:149528 http://www.chembase.cn/molecule-149528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methylphenoxymethyl)oxirane
IUPAC Traditional name
cresyl glycidyl ether
Synonyms
Glycidyl 2-methylphenyl ether
o-Cresyl glycidyl ether
2-(2-Methylphenoxymethyl)oxirane
2-甲苯缩水甘油醚
邻甲苯缩水甘油醚
CAS Number
2210-79-9
EC Number
218-645-3
MDL Number
MFCD00037847
Beilstein Number
4585
PubChem SID
162243693
24860778
PubChem CID
16640

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16640 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1702626  LogD (pH = 7.4) 2.1702626 
Log P 2.1702626  Molar Refractivity 46.3071 cm3
Polarizability 18.255482 Å3 Polar Surface Area 21.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
109-111 °C/4 mmHg(lit.) expand Show data source
119-120°C/6mm expand Show data source
Flash Point
113 °C expand Show data source
120°C(248°F) expand Show data source
235.4 °F expand Show data source
Density
1.079 expand Show data source
1.079 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5290 expand Show data source
n20/D 1.529(lit.) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
RTECS
TZ3700000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
UN3082 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
38-43-51/53-68 expand Show data source
38-43-68-51/53 expand Show data source
Safety Statements
36/37-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H317-H341-H411 expand Show data source
H331-H315-H317-H341-H303-H401-H411 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P405-P501A expand Show data source
P273-P280 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Purity
90% expand Show data source
tech. 85% expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C10H12O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 340146 external link
Packaging
100 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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