Hexadecanoic acid-15,15,16,16,16-d5|(15,15,16,16,16-2H5)hexadecanoic acid|棕榈酸-15,15,16,16,16-d5|(15,15,16,16,16-2H5)hexadecanoic acid|十六烷酸-15,15,16...

Molecular Formula

C₁₆H₃₂O₂

Molecular Mass

256.42408

Exact Mass

256.24023026

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)

InChIKey

IPCSVZSSVZVIGE-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCCCCC(=O)O

Isomeric Smiles

CCCCCCCCCCCCCCCC(=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

Hexadecanoic acid-15,15,16,16,16-d5棕榈酸-15,15,16,16,16-d5十六烷酸-15,15,16,16,16-d5Palmitic acid-15,15,16,16,16-d5

IUPAC name

(15,15,16,16,16-²H₅)hexadecanoic acid

IUPAC Traditional name

(15,15,16,16,16-²H₅)hexadecanoic acid

MDL Number

MFCD01075452

PubChem CID

71309044

PubChem SID

162229314

Product Information

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 261.38 by atom % calculation

Linear Formula

CD3CD2(CH2)13CO2H

Purity

99% (CP)

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

Safety Statements

German water hazard class

GHS Hazard statements

H319

GHS Precautionary statements

P305+P351+P338

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

Risk Statements

Physical Property

Melting Point

61-64 °C

Mass Shift

M+5

No Data Available

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No Data Available

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Sigma Aldrich

616109

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

Hexadecanoic acid-15,15,16,16,16-d5棕榈酸-15,15,16,16,16-d5十六烷酸-15,15,16,16,16-d5Palmitic acid-15,15,16,16,16-d5

IUPAC name

(15,15,16,16,16-²H₅)hexadecanoic acid

IUPAC Traditional name

(15,15,16,16,16-²H₅)hexadecanoic acid

MDL Number

MFCD01075452

PubChem CID

71309044

PubChem SID

162229314

Product Information

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 261.38 by atom % calculation

Linear Formula

CD3CD2(CH2)13CO2H

Purity

99% (CP)

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

Safety Statements

German water hazard class

GHS Hazard statements

H319

GHS Precautionary statements

P305+P351+P338

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

Risk Statements

Physical Property

Melting Point

61-64 °C

Mass Shift

M+5

Sigma Aldrich

616109

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:135039