Palmitic acid-13-13C|(13-13C)hexadecanoic acid|Hexadecanoic acid-13-13C|(13-13C)hexadecanoic acid

Molecular Formula

C₁₆H₃₂O₂

Molecular Mass

257.41673484

Exact Mass

257.2435851

InChI

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i4+1

InChIKey

IPCSVZSSVZVIGE-AZXPZELESA-N

Canonic Smiles

CCC[13CH2]CCCCCCCCCCCC(=O)O

Isomeric Smiles

CCC[13CH2]CCCCCCCCCCCC(=O)O

JChem

Acid pKa

4.9520197

H Acceptors

H Donor

LogD (pH = 5.5)

5.600777

LogD (pH = 7.4)

3.8416421

Log P

6.2565827

Molar Refractivity

77.0836

Polarizability

30.713764

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

Synonyms

Palmitic acid-13-13CHexadecanoic acid-13-13C

IUPAC name

(13-¹³C)hexadecanoic acid

IUPAC Traditional name

(13-¹³C)hexadecanoic acid

MDL Number

MFCD19105628

PubChem CID

71309787

PubChem SID

162230680

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

GHS Signal Word

Warning

MSDS Link

Download link

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P305+P351+P338

Risk Statements

GHS Hazard statements

H319

Safety Statements

German water hazard class

nwg

Physical Property

Mass Shift

M+1

Melting Point

61-64 °C(lit.)

Product Information

Mol. Weight

mol wt 257.41 by atom % calculation

Suitability

S & P tested

Linear Formula

CH3(CH2)213CH2(CH2)11CO2H

Isotopic Purity

99 atom % 13C

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

730661

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

Commercial Catalog

Academic Data

Synonyms

Palmitic acid-13-13CHexadecanoic acid-13-13C

IUPAC name

(13-¹³C)hexadecanoic acid

IUPAC Traditional name

(13-¹³C)hexadecanoic acid

MDL Number

MFCD19105628

PubChem CID

71309787

PubChem SID

162230680

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

GHS Signal Word

Warning

MSDS Link

Download link

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P305+P351+P338

Risk Statements

GHS Hazard statements

H319

Safety Statements

German water hazard class

nwg

Physical Property

Mass Shift

M+1

Melting Point

61-64 °C(lit.)

Product Information

Mol. Weight

mol wt 257.41 by atom % calculation

Suitability

S & P tested

Linear Formula

CH3(CH2)213CH2(CH2)11CO2H

Isotopic Purity

99 atom % 13C

Sigma Aldrich

730661

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:136410