CAS No.112-38-9,Undecenoic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	112-38-9
Name:	Undecenoic acid
Article Data:	75

Formula:	C₁₁H₂₀O₂
Molecular Weight:	184.279
Synonyms:	10-Hendecenoicacid;10-Undecylenic acid;Declid;Desenex solution;NSC 2013;Renselin;Sevinon;w-Hendecenoic acid;w-Undecenoic acid;
EINECS:	203-965-8
Density:	0.922 g/cm³
Melting Point:	23-25 ºC
Boiling Point:	300.797 ºC at 760 mmHg
Flash Point:	145.815 ºC
Solubility:	insoluble in water
Appearance:	colorless or light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38-52/53
Safety:	26-36/37/39-61
Transport Information:	UN 3261 8/PG 2
PSA:	37.30000
LogP:	3.37780

Raw Materials

927-74-2

112-45-8

111-66-0

Downstream Products

112-43-6

112-37-8

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Undecenoic acid, with its CAS registry number 112-38-9, has the IUPAC name of undec-10-enoic acid. For being a kind of colorless liquid with special odour, it is slightly soluble in water and soluble in ethanol and diethyl ether. Besides, its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Omega-Unsaturated Carboxylic Acids.As to its usage, it is widely applied in many ways. This chemical could be used in the synthesis of spices, and it could also be a kind of antimykotikum drug to cure dermatomycosis.

The characteristics of Undecenoic acid are as follows:
(1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 80; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 476; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 37.3; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 54.3 cm³; (15)Molar Volume: 199.829 cm³; (16)Polarizability: 21.526×10^-24 cm³; (17)Surface Tension: 33.453 dyne/cm; (18)Density: 0.922 g/cm³; (19)Flash Point: 145.815 °C; (20)Enthalpy of Vaporization: 59.496 kJ/mol; (21)Boiling Point: 300.797 °C at 760 mmHg; (22)Exact Mass: 184.14633; (23)MonoIsotopic Mass: 184.14633; (24)Topological Polar Surface Area: 37.3; (25)Heavy Atom Count: 13; (26)Complexity: 141.

Production of Undecenoic acid:
This product could be prepared from the direct schizolysis of castor [ricinus] oil. Firstly, pour the castor oil into the stainless steel reactive pan and then heat; Secondly, go through the decompression and destructive distillation to get the distillate; Thirdly have the fractionation to get 10-Undecenoic acid and heptylic acid at the same time.

Safety information of Undecenoic acid:
When you are dealing with this chemical, you should be very cautious. This chemical is irritating to eyes, respiratory system and skin and then may cause inflammation to the skin or other mucous membranes. Being harmful to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. Due to so many dangers, you should take the following instructions. First is to wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, avoid releasing to the environment and you could also refer to special instructions/safety data sheet.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C=CCCCCCCCCC(=O)O
(2)InChI: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
(3)InChIKey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N

Below are the toxicity information of Undecenoic acid:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	skin	50mg/kg (50mg/kg)		"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4954, 1982.
mouse	LD50	intraperitoneal	960mg/kg (960mg/kg)		Journal of Investigative Dermatology. Vol. 13, Pg. 145, 1949.
mouse	LD50	oral	8150mg/kg (8150mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Investigative Dermatology. Vol. 13, Pg. 145, 1949.
rat	LD50	oral	2500mg/kg (2500mg/kg)		"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 386, 1969.