Pelargonic Acid

Product NamePelargonic Acid
CAS112-05-0
MFC9H18O2
MW158.24
EINECS203-931-2
MOL File112-05-0.mol

Chemical Properties

Melting point	9 °C (lit.)
Boiling point	268-269 °C (lit.)
Density	0.906 g/mL at 25 °C (lit.)
vapor density	5.5 (vs air)
vapor pressure	<0.1 mm Hg ( 20 °C)
refractive index	n20/D 1.432(lit.)
FEMA	2784 \| NONANOIC ACID
Flash point	212 °F
storage temp.	2-8°C
solubility	0.3g/l
form	Liquid
pka	4.96(at 25℃)
color	Clear colorless
PH	4(1 mM solution);3.49(10 mM solution);2.98(100 mM solution);
Odor	at 10.00 % in dipropylene glycol. waxy dirty cheese cultured dairy
Odor Type	waxy
biological source	synthetic
explosive limit	0.8-9%(V)
Water Solubility	NEGLIGIBLE
Thermal Conductivity	0.166 W/(m·K) at 25 ℃
Specific Heat Capacity	Cp(liquid): 2.29 J/(g·K), at 25℃
JECFA Number	102
Merck	14,7070
BRN	1752351
Henry's Law Constant	6.1×10⁰ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant	13.9(25℃)
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING SURFACTANT - EMULSIFYING FRAGRANCE CLEANSING
InChI	1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey	FBUKVWPVBMHYJY-UHFFFAOYSA-N
SMILES	CCCCCCCCC(O)=O
LogP	3.4 at 25℃
CAS DataBase Reference	112-05-0(CAS DataBase Reference)
NIST Chemistry Reference	Nonanoic acid(112-05-0)
EPA Substance Registry System	Nonanoic acid (112-05-0)

Safety Information

Hazard Codes	C
Risk Statements	34
Safety Statements	26-28-36/37/39-45-28A
RIDADR	UN 3265 8/PG 3
WGK Germany	1
RTECS	RA6650000
Autoignition Temperature	405 °C
TSCA	TSCA listed
HazardClass	8
PackingGroup	III
HS Code	29159080
Storage Class	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2
Hazardous Substances Data	112-05-0(Hazardous Substances Data)
Toxicity	LD50 i.v. in mice: 224±4.6 mg/kg (Or, Wretlind)

MSDS

Provider	Language
Nonanoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Description

Pelargonic acid is a chemical substance that is found in almost all species of animals and plants. Because it contains nine carbon atoms, it is also called nonanoic acid.It is readily broken down in the environment.

Physical properties

Pelargonic Acid is a clear, oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but very soluble in chloroform, ether, and hexane.Its refractive index is 1.4322. Its critical point is at 712 K ( 439℃ ) and 2.35 MPa.

Occurrence

Pelargonic acid, also known as nonanoic acid, occurs naturally in many animals and plants, including geranium (Pelargonium spp.).Commercially, however, pelargonic acid is manufactured using a synthetic process; to produce the active ingredient, various sources of fats and oils are reacted with ozone, and are then separated by fractional distillation.

Uses

Pelargonic Acid is commonly used in conjunction with glyphosate which is a kind of non-selective herbicide in order to obtain a quick burn-down effect in the control of weeds in turfgrass.It is also a potent antifungal agent which can inhibit spore germination and mycelial growth of pathogenic fungi.
Moreover, it can also be used in the preparation of plasticizers and lacquers. It can also be potentially used for the treatment of seizures.

Pharmacology

Pelargonic acid may be more potent than valproic acid in treating seizures.Moreover, in contrast to valproic acid, pelargonic acid exhibited no effect on HDAC inhibition, suggesting that it is unlikely to show HDAC inhibition-related teratogenicity.