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Cas Database

Name	Pentadecanoic Acid	EINECS	213-693-1
CAS No.	1002-84-2	Density	0.895 g/cm³
PSA	37.30000	LogP	5.16220
Solubility	insoluble in water	Melting Point	51-53 °C(lit.)
Formula	C15H30 O2	Boiling Point	257 °C100 mm Hg(lit.)，330.4 °C at 760 mmHg
Molecular Weight	242.402	Flash Point	149.6 °C
Transport Information	N/A	Appearance	White Powder
Safety	Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	14FA; NSC28486; Pentadecylic acid; n-Pentadecanoic acid	Article Data	76

Pentadecanoic Acid Synthetic route

: 4′-methoxybenzyl hexadecanoate

: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With silver hexafluoroantimonate; 1,2,3-trimethoxybenzene In dichloromethane at 40℃; for 8h;	99%

: 629-73-2
1-Hexadecene

: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With potassium permanganate; sulfuric acid; acetic acid In dichloromethane; water at 20℃; for 21h; Cooling with ice;	84%
With diethyl ether bei der Einw. nitroser Gase;
With acetic acid bei der Einw. nitroser Gase;

: 89036-88-4
(1-Methoxy-pentadecylsulfanyl)-benzene

: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid In acetone at 0℃; for 1h;	78%

: 89861-47-2
4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

A: 1002-84-2
palmitic acid

B: 39220-65-0
1-nitropentadecane

Conditions

Conditions	Yield
With bismuth trisphenylsulphide; dinitrogen tetraoxide In chlorobenzene at 110℃; for 12h;	A 72% B 5%

: 106-02-5
pentadecanolide

: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; W(OTf)6; hydrogen at 135℃; under 760.051 Torr; for 12h;	71%
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h;	71%

: 103227-50-5
4-carbonyloxybutyryl dodecanoyl peroxide

A: 1120-21-4
n-Undecane

B: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
at -78℃; for 50h; Irradiation;	A 1 % Chromat. B 59%

: 3-n-pentadecyl-2-nitrophenol

A: O-pentadecanoyl-3-n-pentadecyl-4-nitrophenol

B: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); acetic acid at 80℃; for 4h;	A 55% B 6%

: 22991-47-5
3-n-pentadecyl-4-nitrophenol

A: O-pentadecanoyl-3-n-pentadecyl-2-nitrophenol

B: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); acetic acid at 80℃; for 4h;	A 51% B 6%

: 2437-56-1
1-tridecene

: 124-38-9
carbon dioxide

: 1002-84-2
palmitic acid

Conditions

Conditions	Yield
Stage #1: 1-tridecene With bis(cyclopentadienyl)titanium dichloride; isopropylmagnesium chloride In diethyl ether at 30℃; for 8h; Schlenk technique; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; regioselective reaction;	51%

: 200421-95-0
5-n-pentadecyl-2-nitrophenol

A: 1-(3-hydroxy-4-nitro-phenyl)-pentadecan-1-one

B: O-pentadecanoyl-5-n-pentadecyl-2-nitrophenol

C: 1002-84-2
palmitic acid

D: 3163-07-3
4-nitroresorcinol

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); acetic acid at 80℃; for 4h;	A n/a B 45% C 8% D n/a

Pentadecanoic Acid Chemical Properties

Chemistry informtion about Pentadecanoic Acid (CAS NO.1002-84-2) is:
IUPAC Name: Pentadecanoic Acid
Synonyms: Carboxylic Acid C₁₅ ; C₁₅:0 Fatty Acid ; C₁₅ Acid ; 1-Pentadecanoic Acid ; Rarechem Al Bo 0368 ; Tetradecane-1-Carboxylic Acid ; Pentadecyclic Acid ; Pentadecylic Acid
Product Categories: Alkylcarboxylic Acids ; Biochemistry ; Higher Fatty Acids & Higher Alcohols ; Monofunctional & alpha,omega-Bifunctional Alkanes ; Monofunctional Alkanes ; Saturated Higher Fatty Acids ; PA - PENFatty Acids ; Fatty AcidsFA/FAME/Lipids/Steroids ; Free Fatty Acids ; Lipid Analytical Standards ; NeatsAlphabetic ; Other Lipid Related Products ; P ; C₁₃ to C₄₂⁺Fatty Acids ; Carbonyl Compounds ; Carboxylic Acids ; Fatty Acids ; Saturated fatty acids and derivatives ; Straight chain fatty acids
MF: C₁₅H₃₀O₂
MW: 242.4
EINECS: 213-693-1
Density: 0.895 g/cm³
Melting Point: 51-53 °C(lit.)
Flash Point: 149.6 °C
Boiling Point: 330.4 °C at 760 mmHg
Vapour Pressure: 6.67E-05 mmHg at 25°C
Enthalpy of Vaporization: 60.48 kJ/mol
Storage temp.: −20°C
BRN: 1773831
Stability: Stable. Combustible. Incompatible with bases, reducing agents, oxidizing agents.
Following is the molecular structure of Pentadecanoic Acid (CAS NO.1002-84-2) is:

Pentadecanoic Acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	54mg/kg (54mg/kg)	Behavioral: convulsions or effect on seizure threshold	Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Pentadecanoic Acid Consensus Reports

Reported in EPA TSCA Inventory.

Pentadecanoic Acid Safety Profile

Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:
Irritant Xi
Risk Statements:
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: RZ1925000

Pentadecanoic Acid Specification

Pentadecanoic Acid (CAS NO.1002-84-2) is a white powder.
First Aid Measures
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician: Treat symptomatically and supportively.
Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.

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