CAS 102611-15-4|Capric acid-10,10,10-d3|(10,10,10-2H3)decanoic acid|(10,10,10-2H3)decanoic acid|Decanoic-10,10,10-d3 acid|羊蜡酸-10,10,10-d3|癸酸-10,10,10...

Molecular Formula

C₁₀H₂₀O₂

Molecular Mass

172.2646

Exact Mass

172.14632988

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

InChIKey

GHVNFZFCNZKVNT-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC(=O)O

Isomeric Smiles

CCCCCCCCCC(=O)O

JChem

Acid pKa

4.9520197

H Acceptors

H Donor

LogD (pH = 5.5)

2.9333653

LogD (pH = 7.4)

1.1742302

Log P

3.5891707

Molar Refractivity

49.4776

Polarizability

19.6566

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Capric acid-10,10,10-d3Decanoic-10,10,10-d3 acid羊蜡酸-10,10,10-d3癸酸-10,10,10-d3

IUPAC name

(10,10,10-²H₃)decanoic acid

IUPAC Traditional name

(10,10,10-²H₃)decanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Purity

99% (CP)

Isotopic Purity

99 atom % D

Mol. Weight

mol wt 175.27 by atom % calculation

Linear Formula

CD3(CH2)8CO2H

Physical Property

Melting Point

30-32 °C(lit.)

Mass Shift

M+3

Density

0.908 g/mL at 25 °C

Boiling Point

268-270 °C(lit.)

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

P261-P305+P351+P338

European Hazard Symbols

Irritant (Xi)

36/37/38

26-36

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

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Sigma Aldrich

616125

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

Capric acid-10,10,10-d3Decanoic-10,10,10-d3 acid羊蜡酸-10,10,10-d3癸酸-10,10,10-d3

IUPAC name

(10,10,10-²H₃)decanoic acid

IUPAC Traditional name

(10,10,10-²H₃)decanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

616125

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

Purity

99% (CP)

Isotopic Purity

99 atom % D

Mol. Weight

mol wt 175.27 by atom % calculation

Linear Formula

CD3(CH2)8CO2H

Physical Property

Melting Point

30-32 °C(lit.)

Mass Shift

M+3

Density

0.908 g/mL at 25 °C

Boiling Point

268-270 °C(lit.)

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

P261-P305+P351+P338

European Hazard Symbols

Irritant (Xi)

36/37/38

26-36

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

Download link

Molecule

ID:135006