Welcome to the BenchChem Online Store!
molecular formula C8H16O2 B1589598 (113C)octanoic acid CAS No. 59669-16-8

(113C)octanoic acid

Cat. No. B1589598
M. Wt: 145.20 g/mol
InChI Key: WWZKQHOCKIZLMA-VJJZLTLGSA-N
Attention: For research use only. Not for human or veterinary use.
In Stock
  • Click on QUICK INQUIRY to receive a quote from our team of experts.
  • With the quality product at a COMPETITIVE price, you can focus more on your research.
Patent
US08202907B2

Procedure details

Next, 80 g of the triglycerides containing 40 wt % arachidonic acid (TGA40S) obtained in Example 1, 160 g of caprylic acid, 12 g of the aforementioned immobilized lipase and 4.8 ml of water were reacted for 48 hours at 30° C. while stirring (130 rpm). Upon completion of the reaction, the reaction solution was removed to obtain the activated immobilized enzyme.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
4.8 mL
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=C\C/C=C\C/C=C\CCCCC>O>[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)O
Name
Quantity
4.8 mL
Type
solvent
Smiles
O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
Measurements
Type Value Analysis
AMOUNT: MASS 80 g
Name
Type
product
Smiles
C(CCCCCCC)(=O)O
Measurements
Type Value Analysis
AMOUNT: MASS 160 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US08202907B2

Procedure details

Next, 80 g of the triglycerides containing 40 wt % arachidonic acid (TGA40S) obtained in Example 1, 160 g of caprylic acid, 12 g of the aforementioned immobilized lipase and 4.8 ml of water were reacted for 48 hours at 30° C. while stirring (130 rpm). Upon completion of the reaction, the reaction solution was removed to obtain the activated immobilized enzyme.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
4.8 mL
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=C\C/C=C\C/C=C\CCCCC>O>[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)O
Name
Quantity
4.8 mL
Type
solvent
Smiles
O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
Measurements
Type Value Analysis
AMOUNT: MASS 80 g
Name
Type
product
Smiles
C(CCCCCCC)(=O)O
Measurements
Type Value Analysis
AMOUNT: MASS 160 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US08202907B2

Procedure details

Next, 80 g of the triglycerides containing 40 wt % arachidonic acid (TGA40S) obtained in Example 1, 160 g of caprylic acid, 12 g of the aforementioned immobilized lipase and 4.8 ml of water were reacted for 48 hours at 30° C. while stirring (130 rpm). Upon completion of the reaction, the reaction solution was removed to obtain the activated immobilized enzyme.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
4.8 mL
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=C\C/C=C\C/C=C\CCCCC>O>[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)O
Name
Quantity
4.8 mL
Type
solvent
Smiles
O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
Measurements
Type Value Analysis
AMOUNT: MASS 80 g
Name
Type
product
Smiles
C(CCCCCCC)(=O)O
Measurements
Type Value Analysis
AMOUNT: MASS 160 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US08202907B2

Procedure details

Next, 80 g of the triglycerides containing 40 wt % arachidonic acid (TGA40S) obtained in Example 1, 160 g of caprylic acid, 12 g of the aforementioned immobilized lipase and 4.8 ml of water were reacted for 48 hours at 30° C. while stirring (130 rpm). Upon completion of the reaction, the reaction solution was removed to obtain the activated immobilized enzyme.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
4.8 mL
Type
solvent
Reaction Step One

Identifiers

REACTION_CXSMILES
[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=C\C/C=C\C/C=C\CCCCC>O>[C:1]([OH:22])(=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)O
Name
Quantity
4.8 mL
Type
solvent
Smiles
O

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Outcomes

Product
Name
Type
product
Smiles
Measurements
Type Value Analysis
AMOUNT: MASS 80 g
Name
Type
product
Smiles
C(CCCCCCC)(=O)O
Measurements
Type Value Analysis
AMOUNT: MASS 160 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
© Copyright 2024 BenchChem. All Rights Reserved.