CAS 32480-06-1|2-(13C)methyl(1,3-13C2)propan-2-ol|2-(13C)methyl(1,3-13C2)propan-2-ol|2-M...

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1+1,2+1,3+1

DKGAVHZHDRPRBM-VMIGTVKRSA-N

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

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

Acid pKa

18.086988

H Acceptors

H Donor

LogD (pH = 5.5)

0.53538257

LogD (pH = 7.4)

0.53538257

Log P

0.53538257

Molar Refractivity

22.0669

Polarizability

8.715081

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

2-(¹³C)methyl(1,3-¹³C₂)propan-2-ol

2-Methyl-13C-2-propanol-1,3-13C2

H225-H332

UN 1120 3/PG 2

Harmful (Xn)

99 atom % 13C

(13CH3)3COH

98% (CP)

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683469

Packaging
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Names and Identifiers

IUPAC Traditional name

2-(¹³C)methyl(1,3-¹³C₂)propan-2-ol

IUPAC name

2-(¹³C)methyl(1,3-¹³C₂)propan-2-ol

Synonyms

2-Methyl-13C-2-propanol-1,3-13C2

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Molecule Details

683469

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.

Flammable (F)

MSDS Link

Download link

GHS Precautionary statements

P210

Safety Statements

9-16-46

UN Number

1120

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

Risk Statements

11-20-36/37

Hazard Class

GHS Signal Word

Danger

German water hazard class

Packing Group

GHS Hazard statements

European Hazard Symbols

Data Source

Commercial Catalog

Academic Data

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

Molecule

ID:135508