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16484-77-8

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Basic Information
CAS No.: 16484-77-8
Name: MECOPROP-P
Article Data: 14
Molecular Structure:
Molecular Structure of 16484-77-8 (MECOPROP-P)
Formula: C10H11 Cl O3
Molecular Weight: 214.649
Synonyms: Propanoicacid, 2-(4-chloro-2-methylphenoxy)-, (R)-; Propionic acid,2-[(4-chloro-o-tolyl)oxy]-, (+)- (8CI);(+)-2-(4-Chloro-2-methylphenoxy)propanoic acid;(+)-2-(4-Chloro-2-methylphenoxy)propionic acid;(+)-2-(4-Chloro-o-tolyloxy)propionic acid; (+)-MCPP; (+)-Mecoprop;(R)-(+)-Mecoprop; (R)-2-(4-Chloro-2-methylphenoxy)propionate;(R)-2-(4-Chloro-o-tolyloxy)propionic acid; (R)-Mecoprop; Duplosan; Duplosan KV;Mecoprop-P
Density: 1.265g/cm3
Boiling Point: 331.9°Cat760mmHg
Flash Point: 154.5°C
Solubility: 880mg/L at 20℃
Hazard Symbols:
Risk Codes: 22-41-51/53
Safety: Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−.
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Chemistry

Molecular Structure of (R)-2-(4-Chloro-2-methylphenoxy)propionic acid (CAS NO.16484-77-8):

EINECS: 240-539-0
IUPAC Name: (2R)-2-(4-Chloro-2-methylphenoxy)propanoic acid 
Molecular Formula: C10H11ClO3
Molecular Weight: 214.645540 g/mol  
XLogP3: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
Isomeric SMILES: CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O
InChI: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKey: WNTGYJSOUMFZEP-SSDOTTSWSA-N
Index of Refraction: 1.542
Molar Refractivity: 53.44 cm3
Molar Volume: 169.6 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.265 g/cm3
Flash Point: 154.5 °C
Enthalpy of Vaporization: 60.65 kJ/mol
Boiling Point: 331.9 °C at 760 mmHg
Vapour Pressure: 6.04E-05 mmHg at 25 °C
Water Solubility: 168.8 mg/L at 25 °C
Storage Temp.: 0-6 °C

Toxicity Data With Reference

1.    

orl-rat LD50:1050 mg/kg

     FMCHA2    Farm Chemicals Handbook .Meister Publishing,Willoughy, OH.: 1989,C185.
2.    

ipr-rat LD50:680 mg/kg

     ZDBEA9    Zdravookhranenie Belorussii. Public Health Service of White Russia. 23 (11)(1977),83.

Safety Profile

Safety Information of (R)-2-(4-Chloro-2-methylphenoxy)propionic acid (CAS NO.16484-77-8):
Hazard Codes: Xn Harmful, N Dangerous
Risk Statements: 22-41-51/53
R22:Harmful if swallowed
R41:Risk of serious damage to the eyes
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 13-26-37/39-46-61
S13:Keep away from food, drink and animal foodstuffs
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39:Wear suitable gloves and eye/face protection
S46:If swallowed, seek medical advice immediately and show this container or label
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN3077 9/PG 3
RTECS: UE9755000
Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−.

Specification

  (R)-2-(4-Chloro-2-methylphenoxy)propionic acid with CAS Registry Number of 16484-77-8 is also known as Mecoprop-P [ISO] ; (+)-Mcpp ; (R)-Mecoprop ; 2M-4XP ; Duplosan KV ; Mecoprop, D- ; Mecoprop-P ; d-Mecoprop ; Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (2R)- ; Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (R)- (9CI) ; Propionic acid, 2-((4-chloro-o-tolyl)oxy)-, (+)- . It is white powder used as herbicide.