CAS 705948-00-1|2-(13C)methyl(1,2,3-13C3)prop-1-ene|Isobutylene-13C4|2-Methylpropene-13C4 (gas)|2-(13C)methyl(1,2,3-...

Molecular Formula

C₄H₈

Molecular Mass

60.07693935

Exact Mass

60.07601961

InChI

InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3/i1+1,2+1,3+1,4+1

InChIKey

VQTUBCCKSQIDNK-JCDJMFQYSA-N

Canonic Smiles

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

Isomeric Smiles

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

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7368052

LogD (pH = 7.4)

1.7368052

Log P

1.7368052

Molar Refractivity

19.9313

Polarizability

7.912242

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

2-(¹³C)methyl(1,2,3-¹³C₃)prop-1-ene

Synonyms

Isobutylene-13C42-Methylpropene-13C4 (gas)

IUPAC Traditional name

2-(¹³C)methyl(1,2,3-¹³C₃)prop-1-ene

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Purity

98% (CP)

Mol. Weight

mol wt 60.04 by atom % calculation

Linear Formula

(13CH3)213C=13CH2

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

Gases under pressure

Compressed gases

Liquefied gases

Refrigerated Liquefied gases

Dissolved gases

GHS Hazard statements

H220-H280

GHS Precautionary statements

P210-P410+P403

Safety Statements

9-16-33

MSDS Link

Download link

GHS Signal Word

Danger

European Hazard Symbols

Highly flammable (F+)

Risk Statements

German water hazard class

nwg

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

734381

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

IUPAC name

2-(¹³C)methyl(1,2,3-¹³C₃)prop-1-ene

Synonyms

Isobutylene-13C42-Methylpropene-13C4 (gas)

IUPAC Traditional name

2-(¹³C)methyl(1,2,3-¹³C₃)prop-1-ene

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Purity

98% (CP)

Mol. Weight

mol wt 60.04 by atom % calculation

Linear Formula

(13CH3)213C=13CH2

Safety Information

Physical Property

Sigma Aldrich

734381

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:136328