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Product No: CK5597

tridecanoic acid, 95%

Name: tridecanoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

638-53-9

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IUPAC name	tridecanoic acid
inchi	InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
inchi key	SZHOJFHSIKHZHA-UHFFFAOYSA-N
molecular formula	C13H26O2
synonyms	TRIDECANOIC ACID 638-53-9 n-Tridecanoic acid Tridecylic acid n-Tridecoic acid
Compound Description	Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate. Tridecanoic acid has been reported in Leea guineensis, Inula grandis, and other organisms with data available. Tridecanoic acid is a short-chain fatty acid. See also: Fatty acids, C10-16 .

Computed Properties

Molecular Weight:	214.34 g/mol
XLogP3:	4.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	11
Exact Mass:	214.193280068 g/mol
Monoisotopic Mass:	214.193280068 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	144
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (98.7%) Eye Irrit. 2A (98.7%) STOT SE 3 (98.1%)
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 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.1%): 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 = 130 mg/kg). A skin and eye irritant. See Undecanoic acid.

symptoms
carcinogen classification	default_key: No indication of carcinogenicity to humans .

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Documentation

Certificate of Analysis

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*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	tridecanoic acid
inchi	InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
inchi key	SZHOJFHSIKHZHA-UHFFFAOYSA-N
molecular formula	C13H26O2
synonyms	TRIDECANOIC ACID 638-53-9 n-Tridecanoic acid Tridecylic acid n-Tridecoic acid
Compound Description	Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate. Tridecanoic acid has been reported in Leea guineensis, Inula grandis, and other organisms with data available. Tridecanoic acid is a short-chain fatty acid. See also: Fatty acids, C10-16 .

Computed Properties

Molecular Weight:	214.34 g/mol
XLogP3:	4.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	11
Exact Mass:	214.193280068 g/mol
Monoisotopic Mass:	214.193280068 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	144
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (98.7%) Eye Irrit. 2A (98.7%) STOT SE 3 (98.1%)
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 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.1%): 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 = 130 mg/kg). A skin and eye irritant. See Undecanoic acid.

symptoms
carcinogen classification	default_key: No indication of carcinogenicity to humans .

Product No: CK5597

tridecanoic acid, 95%

Product No: CK5597

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CK5597

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?