CAS 1173021-65-2|2-[(1,2,3-13C3)propan-2-yloxy](1,2,3-13C3)propane|异丙醚-13C6|2-[(1,2,3-13C3)propa...

Molecular Formula

C₆H₁₄O

Molecular Mass

108.13068903

Exact Mass

108.1245941

InChI

InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

ZAFNJMIOTHYJRJ-IDEBNGHGSA-N

Canonic Smiles

[13CH3][13CH](O[13CH]([13CH3])[13CH3])[13CH3]

Isomeric Smiles

[13CH3][13CH]([13CH3])O[13CH]([13CH3])[13CH3]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6713154

LogD (pH = 7.4)

1.6713154

Log P

1.6713154

Molar Refractivity

31.3473

Polarizability

12.476034

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

2-[(1,2,3-¹³C₃)propan-2-yloxy](1,2,3-¹³C₃)propane

Synonyms

异丙醚-13C6二异丙醚-13C6Isopropyl-13C6 etherDiisopropyl-13C6 ether

IUPAC Traditional name

2-[(1,2,3-¹³C₃)propan-2-yloxy](1,2,3-¹³C₃)propane

CAS Number

MDL Number

PubChem CID

PubChem SID

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

GHS Signal Word

Danger

Supplemental Hazard Statements

May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Hazard Class

Safety Statements

9-16-29-33

Packing Group

MSDS Link

Download link

RID/ADR

UN 1159 3/PG 2

Risk Statements

11-19-66-67

UN Number

1159

GHS Hazard statements

H225-H336

European Hazard Symbols

Flammable (F)

GHS Precautionary statements

P210-P261

German water hazard class

Physical Property

Product Information

Linear Formula

[(13CH3)213CH]2O

Purity

97% (CP)

Mol. Weight

mol wt 108.08 by atom % calculation

Isotopic Purity

99 atom % 13C

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Sigma Aldrich

632384

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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Commercial Catalog

Academic Data

IUPAC name

2-[(1,2,3-¹³C₃)propan-2-yloxy](1,2,3-¹³C₃)propane

Synonyms

异丙醚-13C6二异丙醚-13C6Isopropyl-13C6 etherDiisopropyl-13C6 ether

IUPAC Traditional name

2-[(1,2,3-¹³C₃)propan-2-yloxy](1,2,3-¹³C₃)propane

CAS Number

MDL Number

PubChem CID

PubChem SID

Safety Information

Physical Property

Product Information

Linear Formula

[(13CH3)213CH]2O

Purity

97% (CP)

Mol. Weight

mol wt 108.08 by atom % calculation

Isotopic Purity

99 atom % 13C

Sigma Aldrich

632384

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:134871