CAS 287111-14-2|Lauric acid-1,2,3,4-13C4|月桂酸-1,2,3,4-13C4|Dodecanoic acid-1,2,3,4-13C4|(1,2,3,4-13C4)dodecanoic acid|十二烷酸-1,2,3,4-13C4|(1,2,3,4-1<s...

Molecular Formula

C₁₂H₂₄O₂

Molecular Mass

204.28837935

Exact Mass

204.19104936

InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i9+1,10+1,11+1,12+1

InChIKey

POULHZVOKOAJMA-BMHINFNASA-N

Canonic Smiles

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

Isomeric Smiles

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

JChem

Acid pKa

4.9520197

H Acceptors

H Donor

LogD (pH = 5.5)

3.8225026

LogD (pH = 7.4)

2.0633676

Log P

4.478308

Molar Refractivity

58.6796

Polarizability

23.339931

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Lauric acid-1,2,3,4-13C4月桂酸-1,2,3,4-13C4Dodecanoic acid-1,2,3,4-13C4十二烷酸-1,2,3,4-13C4

IUPAC name

(1,2,3,4-¹³C₄)dodecanoic acid

IUPAC Traditional name

(1,2,3,4-¹³C₄)dodecanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 204.27 by atom % calculation

Linear Formula

CH3(CH2)7(13CH2)313CO2H

Physical Property

Mass Shift

M+4

Melting Point

44-46 °C(lit.)

Boiling Point

225 °C/100 mmHg(lit.)

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

Warning

36/37/38

Irritant (Xi)

26-36

P261-P305+P351+P338

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

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Sigma Aldrich

586153

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

Lauric acid-1,2,3,4-13C4月桂酸-1,2,3,4-13C4Dodecanoic acid-1,2,3,4-13C4十二烷酸-1,2,3,4-13C4

IUPAC name

(1,2,3,4-¹³C₄)dodecanoic acid

IUPAC Traditional name

(1,2,3,4-¹³C₄)dodecanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

586153

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

Product Information

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 204.27 by atom % calculation

Linear Formula

CH3(CH2)7(13CH2)313CO2H

Physical Property

Mass Shift

M+4

Melting Point

44-46 °C(lit.)

Boiling Point

225 °C/100 mmHg(lit.)

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

Warning

36/37/38

Irritant (Xi)

26-36

P261-P305+P351+P338

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

Download link

Molecule

ID:134794