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4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate

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Name

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate

EINECS N/A
CAS No. 315-18-4 Density 1.076g/cm3
PSA 41.57000 LogP 2.47850
Solubility 99.99mg/L(25 oC) Melting Point 85°
Formula C12H18 N2 O2 Boiling Point 318.3°Cat760mmHg
Molecular Weight 222.287 Flash Point 146.3°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, skin contact, and intraperitoneal routes. Experimental teratogenic effects. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS and CARBAMATES. Risk Codes 21-28-50/53
Molecular Structure Molecular Structure of 315-18-4 (ZECTRAN) Hazard Symbols Toxic by ingestion.
Synonyms

Carbamicacid, methyl-, 4-(dimethylamino)-3,5-xylyl ester (7CI,8CI); Phenol,4-(dimethylamino)-3,5-dimethyl-, methylcarbamate (ester) (9CI);4-(N,N-Dimethylamino)-3,5-xylyl N-methylcarbamate;4-Dimethylamino-3,5-dimethylphenyl N-methylcarbamate; 4-Dimethylamino-3,5-xylylN-methylcarbamate; 4-Dimethylamino-3,5-xylyl methylcarbamate; Dowco 139; ENT 25,766;Mexacarbate; Zactran; Zectane; Zectran; Zextran

 

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Chemical Properties

Molecule structure of 4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate (CAS NO.315-18-4) :

IUPAC Name: [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate 
Molecular Weight: 222.28352 g/mol
Molecular Formula: C12H18N2O2 
Density: 1.076 g/cm3 
Melting Point: 85 deg C
Boiling Point: 318.3 °C at 760 mmHg 
Flash Point: 146.3 °C
Molar Volume: 206.4 cm3
Polarizability: 25.82*10-24 cm3
Surface Tension: 38.4 dyne/cm 
Enthalpy of Vaporization: 55.97 kJ/mol 
log P (octanol-water): 2.56
Water Solubility: 100 mg/L
Vapor Pressure: 2.70E-04 mm Hg
Henry's Law Constant: 7.90E-08 atm-m3/mole
Atmospheric OH Rate Constant: 2.90E-11 cm3/molecule-sec
XLogP3: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 222.136828
MonoIsotopic Mass: 222.136828
Topological Polar Surface Area: 41.6
Heavy Atom Count: 16
Complexity: 231
Canonical SMILES: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
InChI: InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
InChIKey: YNEVBPNZHBAYOA-UHFFFAOYSA-N
EINECS: 206-249-3
Product Categories: Alphabetic; Analytical Standards; Z 
Storage temp.: 0-6 °C

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Uses

 4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate (CAS NO.315-18-4) is used as a pesticide.

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Toxicity Data With Reference

1.    

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 .
2.    

orl-rat LD50:14 mg/kg

    JEENAI    Journal of Economic Entomology. 62 (1969),1307.
3.    

orl-mus LD50:12 mg/kg

    PSSCBG    Pesticide Science. 2 (1971),10.
4.    

skn-mus LD50:107 mg/kg

    JAFCAU    Journal of Agricultural and Food Chemistry. 15 (1967),479.
5.    

ipr-mus LD50:7800 µg/kg

    JAFCAU    Journal of Agricultural and Food Chemistry. 16 (1968),561.
6.    

orl-dog LD50:22 mg/kg

    FMCHA2    Farm Chemicals Handbook .Meister Publishing,Willoughy, OH.: 1989,C196.
7.    

orl-rbt LD50:37 mg/kg

    SPEADM    Special Publication of the Entomological Society of America.(4603 Calvert Rd., College Park, MD 20740)(1978)1,59,
8.    

orl-gpg LD50:15 mg/kg

    PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966)1232.
9.    

orl-pgn LD50:5620 µg/kg

    ASTTA8    ASTM Special Technical Publication.(680),(1979),157. JEENAI    Journal of Economic Entomology. 62 (1969),1307.

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 12 ,1976,p. 237.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-147 ,1978. . EPA Extremely Hazardous Substances List.

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Safety Profile

Poison by ingestion, skin contact, and intraperitoneal routes. Experimental teratogenic effects. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS and CARBAMATES.
 

Hazard Codes: VeryT+, DangerousN
Risk Statements: 21-28-50/53
R21: Harmful in contact with skin 
R28: Very toxic if swallowed 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 36/37-45-60-61
S36/37: Wear suitable protective clothing and gloves 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible) 
S60: This material and its container must be disposed of as hazardous waste 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: 2757
RTECS: FC0700000
HazardClass: 6.1(a)
PackingGroup: II

4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate Specification

 4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate (CAS NO.315-18-4) is also called 3,5-Dimethyl-4-(dimethylamino)phenyl methylcarbamate ; 3,5-Xylenol, 4-(dimethylamino)-, methylcarbamate ; 4-(Dimethylamino)-3,5-dimethylphenol methylcarbamate (ester) ; Carbamate, 4-dimethylamino-3,5-xylyl N-methyl- ; Carbamic acid, methyl-, 4-(dimethylamino)-3,5-dimethylphenyl ester ; Carbamic acid, methyl-, 4-(dimethylamino)-3,5-xylyl ester ; Methyl-4-dimethylamino-3,5-xylyl carbamate ; Methyl-4-dimethylamino-3,5-xylyl ester of carbamic acid ; Methylcarbamic acid, 4-(dimethylamino)-3,5-xylyl ester .  4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate is an odorless white crystalline solid dissolved in a liquid carrier.  4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate is toxic by inhalation, skin absorption, and/or ingestion. When heated to high temperatures  4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate may emit toxic oxides of nitrogen.  4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate will burn but  4-(Dimethylamine)-3,5-xylyl-N-methyl-carbamate is difficult to ignite.It is a carbamate ester-amine. Amines behave as chemical bases. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates. Fire may produce irritating or poisonous gases. Container may explode in heat of fire. Avoid decomposition in highly alkaline media. Subject to photo-decomposition in the solid state.

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