CAS 1078126-79-0|bis(1,2-13C2)ethyl (13C)carbonate|Diethyl carbonate-13C5|碳酸二乙酯-13C5|bis(1,2-13C2)ethyl (...

InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1,5+1

OIFBSDVPJOWBCH-CVMUNTFWSA-N

[13CH3][13CH2]O[13C](=O)O[13CH2][13CH3]

H Acceptors

H Donor

LogD (pH = 5.5)

1.2554554

LogD (pH = 7.4)

1.2554554

Log P

1.2554554

Molar Refractivity

28.5336

Polarizability

11.458225

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Diethyl carbonate-13C5碳酸二乙酯-13C5

bis(1,2-¹³C₂)ethyl (¹³C)carbonate

IUPAC Traditional name

bis(1,2-¹³C₂)ethyl (¹³C)carbonate

Purity

97% (CP)

Mol. Weight

mol wt 123.00 by atom % calculation

Linear Formula

(13C2H5O)213CO

Isotopic Purity

98 atom % 13C

Warning

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Irritant (Xi)

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652539

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

Diethyl carbonate-13C5碳酸二乙酯-13C5

IUPAC name

bis(1,2-¹³C₂)ethyl (¹³C)carbonate

IUPAC Traditional name

bis(1,2-¹³C₂)ethyl (¹³C)carbonate

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Molecule Details

652539

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

10-36/37/38

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

RID/ADR

UN 2366 3/PG 3

Hazard Class

UN Number

2366

German water hazard class

GHS Hazard statements

H226-H315-H319-H335

Safety Statements

16-23-26-36

Packing Group

European Hazard Symbols

Molecule

ID:135966