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121906-44-3 molecular structure
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(2R)-2-[(heptyloxy)methyl]oxirane

ChemBase ID: 138109
Molecular Formular: C10H20O2
Molecular Mass: 172.2646
Monoisotopic Mass: 172.14632988
SMILES and InChIs

SMILES:
CCCCCCCOC[C@H]1CO1
Canonical SMILES:
CCCCCCCOC[C@H]1CO1
InChI:
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKey:
INSCMIFABOJDRE-JTQLQIEISA-N

Cite this record

CBID:138109 http://www.chembase.cn/molecule-138109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-[(heptyloxy)methyl]oxirane
IUPAC Traditional name
(2R)-2-[(heptyloxy)methyl]oxirane
Synonyms
(R)-(+)-Glycidyl heptyl ether
(R)-(+)-缩水甘油基庚醚
CAS Number
121906-44-3
MDL Number
MFCD00800310
PubChem SID
162232367
PubChem CID
22831356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
477206 external link Add to cart Please log in.
Data Source Data ID
PubChem 22831356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.623421  LogD (pH = 7.4) 2.623421 
Log P 2.623421  Molar Refractivity 49.4338 cm3
Polarizability 19.801666 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
70-71 °C/2 mmHg(lit.) expand Show data source
Flash Point
104 °C expand Show data source
219.2 °F expand Show data source
Density
0.895 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.432(lit.) expand Show data source
Optical Rotation
[α]20/D +8.6°, neat expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
38-40-42/43 expand Show data source
Safety Statements
23-26-36 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H317-H334-H351 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C10H20O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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