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ChemicalBook--->CAS DataBase List--->85-68-7

85-68-7

85-68-7 Structure

85-68-7 Structure
IdentificationMore
[Name]

Butyl benzyl phthalate
[CAS]

85-68-7
[Synonyms]

1,2-benzenedicarboxylic acid butyl phenylmethyl ester
BBP
BENZYL BUTYL PHTHALATE
BENZYL N-BUTYL PHTHALATE
BUTYL BENZYL PHTHALATE
butyl benzyl phthlate
Butyl phenylmethyl 1,2-benzenedicarboxylate
N-BUTYL BENZYL PHTHALATE
PHTHALIC ACID, BENZYLBUTYL ESTER
PHTHALIC ACID BENZYL N-BUTYL ESTER
SANTICIZER(R) 160
1-Benzyl 2-butyl phthalate
Benzyl-butylester kyseliny ftalove
NCI-C54375
Palatinol BB
phthalicacidbenzylesterbutylester
Santicizer 160
Sicol
Sicol 160
Unimoll BB
[EINECS(EC#)]

201-622-7
[Molecular Formula]

C19H20O4
[MDL Number]

MFCD00009440
[Molecular Weight]

312.36
[MOL File]

85-68-7.mol
Chemical PropertiesBack Directory
[Appearance]

Butyl benzyl phthalate is a clear, oily liquid with a slight odor.
[Melting point ]

<-35°C
[Boiling point ]

370°C
[density ]

1.1 g/mL at 25 °C(lit.)
[Pour Point ]

-45
[vapor density ]

10.8 (vs air)
[vapor pressure ]

0.16 mm Hg ( 150 °C)
[refractive index ]

n20/D 1.54(lit.)
[Fp ]

>230 °F
[storage temp. ]

room temp
[solubility ]

DMSO: 100 mg/mL (320.14 mM)
[form ]

Oily Liquid
[color ]

Clear
[Specific Gravity]

1.1
[Water Solubility ]

0.000269 g/100 mL
[FreezingPoint ]

-35℃
[BRN ]

2062204
[Henry's Law Constant]

(x 10-6 atm?m3/mol): 1.3 at 25 °C (calculated, Howard, 1989)
[InChIKey]

IRIAEXORFWYRCZ-UHFFFAOYSA-N
[LogP]

4.84 at 20℃
[CAS DataBase Reference]

85-68-7(CAS DataBase Reference)
[IARC]

3 (Vol. Sup 7, 73) 1999
[NIST Chemistry Reference]

Phthalic acid, benzyl butyl ester(85-68-7)
[EPA Substance Registry System]

85-68-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R61:May cause harm to the unborn child.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R62:Possible risk of impaired fertility.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

2
[RTECS ]

TH9990000
[Autoignition Temperature]

450 °F
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29173400
[Hazardous Substances Data]

85-68-7(Hazardous Substances Data)
[Toxicity]

Acute oral LD50 for guinea pigs 13,750 mg/kg, mice 4,170 mg/kg, rats 2,330 mg/kg (quoted, RTECS, 1985).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyl chloride-->MONOBUTYL PHTHALATE
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with a mild odor. Primary hazard is to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrates the soil to contaminate groundwater and nearby waterways.
[Reactivity Profile]

BUTYL BENZYL PHTHALATE(85-68-7) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Can generate electrostatic charges. [Handling Chemicals Safely 1980. p. 250].
[Air & Water Reactions]

Slightly soluble in water and slightly denser than water.
[Health Hazard]

Prolonged contact with liquid causes some irritation of eyes and skin.
[Potential Exposure]

Butyl benzyl phthalate is used as a plasticizer for polyvinyl and cellulosic resins. It is also used as an organic intermediate. Incompatibilities: Incompatible with strong acids; nitrates, oxidizers. Destructive to rubber and paint
[Fire Hazard]

Special Hazards of Combustion Products: Irritating vapors of unburned chemical may form in fires.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for 2030 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit
[Shipping]

UN3082 Environmentally hazardous substances, liquid, n.o.s., Hazard class: 9; Labels: 9—Miscellaneous hazardous material, Technical Name Required
[Description]

Butyl benzyl phthalate is a clear, oily liquidwith a slight odor. Molecular weight = 312.39; Specificgravity (H2O:1): 1.1; Boiling point = 370; Freezing/Melting point 5 2 34.7C; Relative vapor density (air = 1):10.8; Vapor pressure = very low; Flash point =199℃;Autoignition temperature =422℃. Hazard Identification(based on NFPA-704 M Rating System): Health 1,Flammability 1, Reactivity 0. Practically insoluble in water.
[Chemical Properties]

Benzyl butyl phthalate is a clear, oily liquid with a slight odor.
[Waste Disposal]

Atomize into an incinerator together with a flammable solvent.
[Uses]

A phthalate metabolite with genotoxic effect.
[Uses]

Benzyl n-butyl phthalate is used as a plasticizer for vinyl foams. It is also used in floor tiles, in traffic cones, food conveyor belts and artificial leather. Further, it acts as an organic intermediate. In addition to this, it is used as a perfume fixative.
[Definition]

ChEBI: Butylbenzyl phthalate is a benzyl ester.
[Production Methods]

BBP is manufactured by the sequential addition of butanol and benzyl chloride to phthalic anhydride. It is used as a plasticizer for polyvinyl chloride plastics, particularly vinyl floor tile, vinyl leather, and cloth coating.
[Carcinogenicity]

The NTP examined the carcinogenicity of BBP in rats and mice. Groups of 50 male and female rats and mice were exposed to BBP via the diet at levels of 0, 6000, or 12,000 ppm (0, 300, and 600 mg/kg for rats and 0, 780, or 1560 mg/kg for mice). Male and female mice and female rats were exposed for 103 weeks. Due to poor survival, all males were sacrificed at weeks 29–30; this part of the study was later repeated. No treatmentrelated neoplasms were observed in mice. Survival was not affected. A dose-dependent reduction in body weight in both sexes was the only treatment-related effect observed in this study. Furthermore, nonneoplastic changes were all within the normal limits of incidence for B6C3F1 mice. The NTP concluded that under the conditions of the bioassay, BBP “was not carcinogenic for B6C3F1 mice of either sex.” An increased incidence of mononuclear cell leukemias was observed in the high-dose female rats. No other treatmentrelated findings were observed. The NTP concluded that BBP was “probably carcinogenic for female F344/N rats, causing an increased incidence of mononuclear cell leukemias”. The biological significance of this finding is uncertain as the background incidence of this tumor type in F344 rats is quite high.
[Source]

Detected in distilled water-soluble fractions of new and used motor oil at concentrations of 8.6–13 and 14–17 μg/L, respectively (Chen et al., 1994)
[Environmental Fate]

Biological. In anaerobic sludge diluted to 10%, benzyl butyl phthalate biodegraded to monobutyl phthalate, which subsequently degraded to phthalic acid. After 40 d, >90% of applied amount degraded (Shelton et al., 1984). When benzyl butyl phthalate (5 and 10 mg/L) was statically incubated in the dark at 25 °C with yeast extract and settled domestic wastewater inoculum, complete biodegradation with rapid adaptation was observed after 7 d (Tabak et al., 1981). In activated sludge, the half-life was 2 h (Saeger and Tucker, 1976). Gledhill et al. (1980) reported half-lives of 2 and <4 d for benzyl butyl phthalate in river water and a lake water microcosm, respectively. Aerobic degradation of benzyl butyl phthalate by acclimated soil and activated sewage sludge microbes was studied using an acclimated shake flask CO2 evolution test. After 28 d, loss of benzyl butyl phthalate (primary degradation) was 43%, with a lag phase of 15.6 d, and ultimate biodegradation (CO2 evolution) was 43%. The half-life under these conditions was 19.4 d (Sugatt et al., 1984).
Surface Water. The biological half-life of benzyl butyl phthalate in river water was determined to be 2 d (Saeger and Tucker, 1976).
Photolytic. Gledhill et al. (1980) reported the photolytic half-life is >100 d.
Chemical/Physical. Benzyl butyl phthalate initially hydrolyzes to butyl hydrogen phthalate. This compound undergoes additional hydrolysis yielding o-phthalic acid, 1-butanol, and benzyl alcohol (Kollig, 1993). Gledhill et al. (1980) reported the hydrolysis half-life is >100 d.
[Solubility in organics]

4.05 (Veith et al., 1980)
4.73 (Ellington and Floyd, 1996)
4.80 (Hirzy et al., 1978)
4.91 at 20 °C (shake flask-UV spectrophotometry, Leyder and Boulanger, 1983)
4.77 (shake flask-GC, Gledhill et al., 1980)
[storage]

Store at -20°C
[Incompatibilities]

Incompatible with strong acids, nitrates,oxidizers. Destructive to rubber and paint.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2-Benzenedicarboxylic acid butyl phenylmethyl ester(85-68-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Benzyl butyl phthalate(85-68-7)MS
Benzyl butyl phthalate(85-68-7)1HNMR
Benzyl butyl phthalate(85-68-7)13CNMR
Benzyl butyl phthalate(85-68-7)IR1
Benzyl butyl phthalate(85-68-7)IR2
Benzyl butyl phthalate(85-68-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzyl n-butyl phthalate, 98%(85-68-7)
[Sigma Aldrich]

85-68-7(sigmaaldrich)
[TCI AMERICA]

Benzyl Butyl Phthalate,>98.0%(GC)(85-68-7)
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