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Product No: AA7354

Pentadecanoic acid, 99%

Name: Pentadecanoic acid
Brand: Chempure

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CAS Number

1002-84-2

Molecular Weight

242.40

Formula

CH3(CH2)13COOH

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About this item

IUPAC name	pentadecanoic acid
canonical smiles	CCCCCCCCCCCCCCC(=O)O
inchi	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
inchi key	WQEPLUUGTLDZJY-UHFFFAOYSA-N
molecular formula	C15H30O2
synonyms	PENTADECANOIC ACID 1002-84-2 Pentadecylic acid n-Pentadecanoic acid Pentadecyclic acid
Compound Description	Pentadecanoic acid is a straight-chain saturated fatty acid containing fifteen-carbon atoms. It has a role as a plant metabolite, a food component, a Daphnia magna metabolite, a human blood serum metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentadecanoate. Pentadecanoic acid is a natural product found in Hoya crassipes, Hoya pseudolanceolata, and other organisms with data available. Pentadecylic Acid is a saturated fatty acid with a 15-carbon backbone. Pentadecylic acid is not normally synthesized by animals, but is found in trace amounts in dairy products.

Computed Properties

Molecular Weight:	242.40 g/mol
XLogP3:	5.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	13
Exact Mass:	242.224580195 g/mol
Monoisotopic Mass:	242.224580195 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	166
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Octanoic Acid

Capric Acid

Lauric Acid

Nonanoic acid

Stearic Acid

Heptanoic Acid

Palmitic Acid

Myristic Acid

Azelaic Acid

Dodecanedioic acid

Sebacic Acid

Behenic Acid

Undecanoic acid

Heptadecanoic acid

Tridecanoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg). A skin and strong eye irritant.

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	pentadecanoic acid
canonical smiles	CCCCCCCCCCCCCCC(=O)O
inchi	InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
inchi key	WQEPLUUGTLDZJY-UHFFFAOYSA-N
molecular formula	C15H30O2
synonyms	PENTADECANOIC ACID 1002-84-2 Pentadecylic acid n-Pentadecanoic acid Pentadecyclic acid
Compound Description	Pentadecanoic acid is a straight-chain saturated fatty acid containing fifteen-carbon atoms. It has a role as a plant metabolite, a food component, a Daphnia magna metabolite, a human blood serum metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentadecanoate. Pentadecanoic acid is a natural product found in Hoya crassipes, Hoya pseudolanceolata, and other organisms with data available. Pentadecylic Acid is a saturated fatty acid with a 15-carbon backbone. Pentadecylic acid is not normally synthesized by animals, but is found in trace amounts in dairy products.

Computed Properties

Molecular Weight:	242.40 g/mol
XLogP3:	5.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	13
Exact Mass:	242.224580195 g/mol
Monoisotopic Mass:	242.224580195 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	166
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Octanoic Acid

Capric Acid

Lauric Acid

Nonanoic acid

Stearic Acid

Heptanoic Acid

Palmitic Acid

Myristic Acid

Azelaic Acid

Dodecanedioic acid

Sebacic Acid

Behenic Acid

Undecanoic acid

Heptadecanoic acid

Tridecanoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg). A skin and strong eye irritant.

Product No: AA7354

Pentadecanoic acid, 99%

Product No: AA7354

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA7354

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?