CAS No.111-80-8,METHYL 2-NONYNOATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111-80-8
Name:	METHYL 2-NONYNOATE
Article Data:	17

Formula:	C10H16 O2
Molecular Weight:	168.236
Synonyms:	Methyl2-nonynoate; Methyl octine carbonate; NSC 72102
Density:	0.932g/cm³
Boiling Point:	233.1°Cat760mmHg
Flash Point:	100.6°C
Hazard Symbols:	Xi
Risk Codes:	R36/38;
Safety:	Moderately toxic by ingestion. Mildly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA:	26.30000
LogP:	2.13320

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Chemistry

IUPAC: Methyl non-2-ynoate
Methyl 2-nonynoate (111-80-8) is also called for 2-Nonynoic acid, methyl ester ; 4-02-00-01721 (Beilstein Handbook Reference) ; AI3-35983 ; BRN 1759870 ; EINECS 203-909-2 ; FEMA No. 2726 ; Methyl octin carbonate ; Methyl octine carbonate ; Methyl octyne carbonate ; Methyloctyne carbonate ; Methyloctyne carboxylate ; NSC 72102 ; Octynecarboxylic acid, methyl ester and so on.
Molecular Formula: C₁₀H₁₆O₂
Molecular Weight: 168.23
EINECS: 203-909-2
LogP: ACD/LogP: 4.09
XLogP: 3.90
ALOGPS: 1.23
ACD/LogD (pH 5.5): 4.09
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 5.5): 758.45
ACD/BCF (pH 7.4): 758.45
ACD/KOC (pH 5.5): 4009.15
ACD/KOC (pH 7.4): 4009.15
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Index of Refraction: 1.446
Molar Refractivity: 48.15 cm³
Molar Volume: 180.3
Surface Tension: 33.1 dyne/cm
Density: 0.932 g/cm³
Flash Point: 100.6°C
Enthalpy of Vaporization: 46.98 kJ/mol
Boiling Point: 233.1°C at 760 mmHg
Vapour Pressure: 0.0568 mmHg at 25°C
The appearance of Methyl 2-nonynoate (111-80-8) is colorless to pale yellow clear liquid.
The molecular structure of Methyl 2-nonynoate (111-80-8):

Toxicity Data With Reference

1.		orl-rat LD50:2220 mg/kg		FCTXAV Food and Cosmetics Toxicology. 13 (1975),871.
2.		skn-rbt LD50:5000 mg/kg		FCTXAV Food and Cosmetics Toxicology. 13 (1975),871.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 2
RTECS: RB3450000

Specification

Treatment of Methyl 2-nonynoate (111-80-8) in Wastewater, see as follows :
Total removal: 12.38 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 6.28 percent
Total to air: 5.97 percent
(using 10000 hr Bio P,A,S)