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Butyl carbobutoxymethyl phthalate

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Name

Butyl carbobutoxymethyl phthalate

EINECS N/A
CAS No. 85-70-1 Density 1.1
PSA 78.90000 LogP 3.14360
Solubility 12mg/L(20 oC) Melting Point 25°C
Formula C18H24 O6 Boiling Point 220 °C (10 mmHg)
Molecular Weight 336.385 Flash Point 199 °C
Transport Information N/A Appearance Clear colorless liquid
Safety Mildly toxic via intraperitoneal route. Experimental teratogenic and reproductive effects. Mutation data reported. An eye irritant. When heated to decomposition it emits acrid and irritating fumes. Risk Codes 62-61-51
Molecular Structure Molecular Structure of 85-70-1 (BUTYL PHTHALYL BUTYL GLYCOLATE) Hazard Symbols
Synonyms

1,2-Benzenedicarboxylicacid, 2-butoxy-2-oxoethyl butyl ester (9CI); Phthalic acid, butyl ester, esterwith butyl glycolate (6CI,7CI,8CI); Glycolic acid, butyl ester, butyl phthalate(8CI); 2-Butoxy-2-oxoethyl butyl phthalate; Butoxycarbonylmethyl butylphthalate; Butyl carbobutoxymethyl phthalate; Butyl glycolyl butyl phthalate;Butyl phthalate butyl glycolate; Butyl phthalyl butyl glycolate; Dibutylo-carboxybenzoyloxyacetate; Morflex 190; Reomol 4PG; Santicizer B 16

 

Butyl carbobutoxymethyl phthalate Chemical Properties

Molecular Formula: C18H24O6
Molar mass: 336.3796 g/mol
EINECS: 201-624-8
Density: 1.118 g/cm3
Flash Point: 185.5 °C
Index of Refraction: 1.501
Boiling Point: 428.4 °C at 760 mmHg
Vapour Pressure: 1.52E-07 mmHg at 25°C
Product categories: Functional Materials;Plasticizer;Hydroxycarboxylic Acid Esters
Structure of Butyl carbobutoxymethyl phthalate (85-70-1):
       
XLogP3-AA: 4.6
H-Bond Donor: 0
H-Bond Acceptor: 6
Systematic Name: O2-(2-Butoxy-2-oxo-ethyl) O1-butyl benzene-1,2-dicarboxylate 
SMILES: O=C(OCCCC)c1ccccc1C(=O)OCC(=O)OCCCC 
InChI: InChI=1/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3 
InChIKey: GOJCZVPJCKEBQV-UHFFFAOYAW 
Std. InChI: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3 
Std. InChIKey: GOJCZVPJCKEBQV-UHFFFAOYSA-N

Butyl carbobutoxymethyl phthalate Toxicity Data With Reference

1.    

eye-rbt 500 mg

    AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
2.    

cyt-ham:fbr 125 mg/L/24H

    MUREAV    Mutation Research. 48 (1977),337.
3.    

orl-rat LD50:7 g/kg

    EVHPAZ    EHP, Environmental Health Perspectives. Subseries of DHEW Publications. 3 (1973),131.
4.    

ipr-rat LD50:6889 mg/kg

    JPMSAE    Journal of Pharmaceutical Sciences. 61 (1972),51.
5.    

orl-mus LD50:12,567 mg/kg

    IPSTB3    International Polymer Science and Technology. 3 (1976),93.
6.    

ipr-mus LD50:6880 mg/kg

    JSCCA5    Journal of the Society of Cosmetic Chemists. 28 (1977),667.

Carcinogenicity of Butyl carbobutoxymethyl phthalate (85-70-1) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.

Butyl carbobutoxymethyl phthalate Consensus Reports

Reported in EPA TSCA Inventory.

Butyl carbobutoxymethyl phthalate Safety Profile

Mildly toxic via intraperitoneal route. Experimental teratogenic and reproductive effects. Mutation data reported. An eye irritant. When heated to decomposition it emits acrid and irritating fumes.
 

Hazard Codes: N,T
Risk Statements:
51:  Toxic to aquatic organisms
61:  May cause harm to the unborn child
62:  Possible risk of impaired fertility
Safety Statements:
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53:  Avoid exposure - obtain special instruction before use
61:  Avoid release to the environment. Refer to special instructions safety data sheet

Butyl carbobutoxymethyl phthalate Specification

 Butyl carbobutoxymethyl phthalate (85-70-1) also can be called Butyl phthalyl butyl glycolate ; 2-Butoxy-2-oxoethyl butyl phthalate ; 2-butoxy-2-oxoethyl butyl benzene-1,2-dicarboxylate and 1,2-benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Butyl carbobutoxymethyl phthalate (85-70-1) could stabilize existence.It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials.And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.

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