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IUPAC: 5-(2-Octylsulfinylpropyl)-1,3-benzodioxole
Isosafrole-n-octyl sulfoxide with CAS NO.of 120-62-7 is also called for Piperonyl sulfoxide ; Sulfoxide ; 1,2-(Methylenedioxy)-4-(2-(octylsulfinyl)propyl)benzene ; 1,2-Methoxylenedioxy-4-(2-(octylsulfinyl)propyl)-benzene ; 1,3-Benzodioxole, 5-(2-(octylsulfinyl)propyl)- ; 1-(2,3-Methylendioxyfenyl)-2-(oktylsufinyl)propan ; 1-Methyl-2-(3,4-methylenedioxyphenyl)ethyl octyl sulfoxide ; 2-(1,3-Benzodioxol-5-yl)ethyl octyl sulfoxide ; 5-(2-(Octylsulfinyl)propyl)-1,3-benzodioxole ; AI3-16634 ; Benzene, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)- ; CCRIS 523 ; Caswell No. 615 ; EINECS 204-412-3 ; ENT 16,634 ; EPA Pesticide Chemical Code 057101 ; HSDB 1746 ; Isofrol-n-octyl sulfoxide ; Isosafrole n-octylsulfoxide ; Isosafrole, octyl sulfoxide ; NCI-C02824 ; NSC 8400 ; Piperonyl sulfoxide ; Sulfocide and so on.
CAS: 120-62-7
Molecular Formula: C18H28O3S
Molecular Weight: 324.48
EINECS: 204-412-3
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.8
ACD/LogD (pH 7.4): 4.8
ACD/BCF (pH 5.5): 2597.4
ACD/BCF (pH 7.4): 2597.4
ACD/KOC (pH 5.5): 9676.58
ACD/KOC (pH 7.4): 9676.58
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 10
Heavy Atom Count: 22
Formal Charge: 0
Complexity: 334
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 2
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.546
Molar Refractivity: 92.48 cm3
Molar Volume: 291.8 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.111 g/cm3
Flash Point: 247.3°C
Enthalpy of Vaporization: 72.21 kJ/mol
Boiling Point: 485.2°C at 760 mmHg
Vapour Pressure: 4.24E-09 mmHg at 25°C
The appearance of Isosafrole-n-octyl sulfoxide (CAS NO.120-62-7) is light yellow viscous oil and insoluble in water.
The molecular structure of Isosafrole-n-octyl sulfoxide with CAS NO.of 120-62-7:
Isosafrole-n-octyl sulfoxide (CAS NO.120-62-7) is used as insecticide.
1. | mma-mus:lyms 2500 µg/L | MUREAV Mutation Research. 196 (1988),61. | ||
2. | scu-mus TDLo:90 mg/kg(6-14D preg):TER | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB223-160 . | ||
3. | orl-mus TDLo:31 g/kg/2Y-C:CAR | NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-124 ,1979. | ||
4. | orl-mus TD:62 g/kg/2Y-C:ETA | NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-124 ,1979. | ||
5. | orl-rat LD50:2000 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),24. | ||
6. | skn-rbt LD50:9000 mg/kg | 85DPAN Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow,Berlin, Germany.: Verlag Paul Parey,1971/76. |
NCI Carcinogenesis Bioassay (feed); No Evidence: rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-124 ,1979. . NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-124 ,1979. .
Moderately toxic by ingestion. Slightly toxic by skin contact. Questionable carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Reacts violently with HClO4. An insecticide. Mutation data reported. When heated to decomposition it emits highly toxic fumes of SOx.
Removal in wastewater treatment of Isosafrole-n-octyl sulfoxide (CAS NO.120-62-7):
Total removal:13.26 percent
Total biodegradation:0.19 percent
Total sludge adsorption:13.08 percent
Total to air:0.00 percent
(using 10000 hr Bio P,A,S)