CAS 1173023-62-5|Ethylene carbonate-13C3|(2,4,5-13C3)-1,3-dioxolan-2-one|碳酸乙烯酯-13C3|(2,4,5-13C3)-1,3-dioxolan-2-one

Molecular Formula

C₃H₄O₃

Molecular Mass

91.04002451

Exact Mass

91.0261085

InChI

InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1+1,2+1,3+1

InChIKey

KMTRUDSVKNLOMY-VMIGTVKRSA-N

Canonic Smiles

O=[13C]1O[13CH2][13CH2]O1

Isomeric Smiles

[13CH2]1[13CH2]O[13C](=O)O1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.37031454

LogD (pH = 7.4)

0.37031454

Log P

0.37031454

Molar Refractivity

17.0674

Polarizability

7.1503153

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Ethylene carbonate-13C3碳酸乙烯酯-13C3

IUPAC name

(2,4,5-¹³C₃)-1,3-dioxolan-2-one

IUPAC Traditional name

(2,4,5-¹³C₃)-1,3-dioxolan-2-one

MDL Number

CAS Number

PubChem SID

PubChem CID

Safety Information

GHS Pictograms

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

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

GHS Signal Word

Warning

GHS Hazard statements

H315-H319

Risk Statements

36/38

Safety Statements

26-36

German water hazard class

GHS Precautionary statements

P305+P351+P338

Physical Property

Flash Point

143 °C

289.4 °F

Mass Shift

M+3

Product Information

Mol. Weight

mol wt 91.01 by atom % calculation

Empirical Formula (Hill Notation)

13C3H4O3

Isotopic Purity

99 atom % 13C

Purity

97% (CP)

No Data Available

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Sigma Aldrich

570052

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.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

Ethylene carbonate-13C3碳酸乙烯酯-13C3

IUPAC name

(2,4,5-¹³C₃)-1,3-dioxolan-2-one

IUPAC Traditional name

(2,4,5-¹³C₃)-1,3-dioxolan-2-one

MDL Number

CAS Number

PubChem SID

PubChem CID

Safety Information

GHS Pictograms

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

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

GHS Signal Word

Warning

GHS Hazard statements

H315-H319

Risk Statements

36/38

Safety Statements

26-36

German water hazard class

GHS Precautionary statements

P305+P351+P338

Physical Property

Flash Point

143 °C

289.4 °F

Mass Shift

M+3

Product Information

Mol. Weight

mol wt 91.01 by atom % calculation

Empirical Formula (Hill Notation)

13C3H4O3

Isotopic Purity

99 atom % 13C

Purity

97% (CP)

Sigma Aldrich

570052

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.

No Data Available

Click here to submit data

Molecule

ID:136698