BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE
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BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE
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CAS No:
141-17-3
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Formula:
C22H42O8
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Chemical Name:
BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE
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Synonyms:
Adipic acid, bis(2-(2-butoxyethoxy)ethyl) ester;adipicacid,bis(2-(2-butoxyethoxy)ethyl)ester;plasthalldbeea;reomolbcd;rx11806;thiokoltp759;thiokoltp95;tp759
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CAS No:
BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE Basic Attributes
434.56
434.56
205-465-5
O955C8WB42
TSCA listed
DTXSID3027085
29171900
Characteristics
89.52000
3.29980
Liquid
1.01 g/mL at 25 °C(lit.)
−11 °C(lit.)
467.61°C (rough estimate)
>230 °F
n20/D1.448(lit.)
570mg/L at 20℃
8.35E-10mmHg at 25°C
LD50 oral in rat: 6gm/kg
Not classified
3.2×107mol/(m3Pa) at 25℃, HSDB (2015)
Safety Information
NONH for all modes of transport
2
24/25
AU8420000
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H315
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Not Classified
Toxicity
Bis(2-(2-butoxyethoxy)ethyl) adipate's production and use as a plasticizer(1) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,400(SRC), determined from an estimated log Kow of 3.24(2,SRC) and a regression-derived equation(3), indicates that bis(2-(2-butoxyethoxy)ethyl) adipate is expected to have low mobility in soil(SRC). Volatilization of bis(2-(2-butoxyethoxy)ethyl) adipate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.1X10-13 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Bis(2-(2-butoxyethoxy)ethyl) adipate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.8X10-8 mm Hg(SRC), determined from a fragment constant method(5). Bis(2-(2-butoxyethoxy)ethyl) adipate, present at 100 mg/l, achieved 86 percent of its theoretical BOD in 4 weeks using an activated sludge inoculum(6), suggesting this compound may biodegrade in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,400(SRC), determined from an estimated log Kow of 3.24(2,SRC) and a regression-derived equation(3), indicates that bis(2-(2-butoxyethoxy)ethyl) adipate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected to be an important fate process(3) based upon an estimated Henry's Law constant of 3.1X10-13 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). A base-catalyzed second-order hydrolysis rate constant of 0.27 L/mole-sec(SRC) was estimated using a structure estimation method(5); this corresponds to half-lives of 294 and 29 days at pH values of 7 and 8, respectively(5). According to a classification scheme(6), an estimated BCF of 62(SRC), from an estimated log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Bis(2-(2-butoxyethoxy)ethyl) adipate, present at 100 mg/l, achieved 86 percent of its theoretical BOD in 4 weeks using an activated sludge inoculum(8), suggesting this compound may biodegrade in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), bis(2-(2-butoxyethoxy)ethyl) adipate, which has an estimated vapor pressure of 9.8X10-8 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase bis(2-(2-butoxyethoxy)ethyl) adipate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 7.4X10-11 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3). Bis(2-(2-butoxyethoxy)ethyl) adipate may also undergo direct photolysis in the environment since this compound contains a functional group that can absorb light greater than 290 nm(4). Particulate-phase bis(2-(2-butoxyethoxy)ethyl) adipate may be removed from the air by wet and dry deposition(SRC).
The rate constant for the vapor-phase reaction of bis(2-(2-butoxyethoxy)ethyl) adipate with photochemically-produced hydroxyl radicals has been estimated as 7.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.27 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 294 and 29 days at pH values of 7 and 8, respectively(2). Bis(2-(2-butoxyethoxy)ethyl) adipate may also undergo direct photolysis in the environment since this compound contains a functional group that can absorb light greater than 290 nm(3).
An estimated BCF of 62 was calculated for bis(2-(2-butoxyethoxy)ethyl) adipate(SRC), using an estimated log Kow of 3.24(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
The Koc of bis(2-(2-butoxyethoxy)ethyl) adipate is estimated as 1,400(SRC), using an estimated log Kow of 3.24(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that bis(2-(2-butoxyethoxy)ethyl) adipate is expected to have low mobility in soil(SRC).
The Henry's Law constant for bis(2-(2-butoxyethoxy)ethyl) adipate is estimated as 3.1X10-13 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that bis(2-(2-butoxyethoxy)ethyl) adipate is expected to be essentially nonvolatile from water surfaces(2). Bis(2-(2-butoxyethoxy)ethyl) adipate's estimated Henry's Law constant(1) indicates that volatilization from moist soil surfaces is not expected(SRC). Volatilization from dry soil surfaces is not expected to be an important environmental fate process given an estimated vapor pressure of 9.8X10-8 mm Hg at 25 °C(3).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,476 workers (75 of these are female) are potentially exposed to bis(2-(2-butoxyethoxy)ethyl) adipate in the US(1). Occupational exposure to bis(2-(2-butoxyethoxy)ethyl) adipate may occur through inhalation and dermal contact with this compound at workplaces where bis(2-(2-butoxyethoxy)ethyl) adipate is produced or used(SRC).
BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE Use and Manufacturing
REACTION OF 2-(2-BUTOXYETHOXY)ETHANOL WITH ADIPIC ACID
Compatible with natural rubber and synthetic rubber. Thereby improving the low temperature flexibility of rubber. In particular, it has good cold resistance and gasoline resistance. Mainly used in rubber, polyurethane, plastic, artificial leather, cable materials.
Adhesives and sealant chemicals
Plastic and rubber products not covered elsewhere
Plasticizer
1,000,000 - 10,000,000 lb|(1979) PROBABLY GREATER THAN 9.08X10+6 GRAMS|(1981) PROBABLY GREATER THAN 9.08X10+6 GRAMS
Adhesive manufacturing|Hexanedioic acid, 1,6-bis[2-(2-butoxyethoxy)ethyl] ester: ACTIVE
Computed Properties
Molecular Weight:434.6
XLogP3:2.5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:25
Exact Mass:434.28796829
Monoisotopic Mass:434.28796829
Topological Polar Surface Area:89.5
Heavy Atom Count:30
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE
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CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Agrochemicals,Daily Chemicals,Catalysts & Chemical Auxiliary Agents,Extract,Inorganic Chemicals,Organic Intermediate,Pigment & Dyestuff,Polymer,Flavour & Fragrance,Basic Organic Chemicals,PharmaceuticalInquiryCAS No.: 141-17-3Content: 0.00% -
CN
3 YRS
Business licensedTrader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVEInquiryCAS No.: 141-17-3Grade: Top ProductContent: 0%
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BIS[2-(2-BUTOXYETHOXY)ETHYL] ADIPATE
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