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HCID 6779Erstellt: 4. November 2026

Butylcyclohexylphthalat

1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester · Elastex 50B · cyclohexylbutylphthalate · Cyclohexyl butyl phthalate · N-BUTYL-CYCLOHEXYLPHTHALATE · Cyclohexyl n-butyl phthalate · 1-Butyl 2-cyclohexyl phthalate · phthalicacid,butylcyclohexylester

https://huagongshe.com/de/chemical/6779

Molekülstruktur von Butylcyclohexylphthalat

Identifikatoren & physikalische Daten

CAS No.84-64-0
SummenformelC18H24O4
Durchschnittliche Molmasse304,4 g/mol
Monoisotopische Masse304,16745924 g/mol
SMILESCCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1
InChIKeyBHKLONWXRPJNAE-UHFFFAOYSA-N
PubChem CID6779
EC No.201-548-5
DTXSIDDTXSID5024689
Lokaler NameButylcyclohexylphthalat

Chemische & physikalische Eigenschaften

XLogP5,3
Polarare Oberfläche (TPSA)52,6
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen8
Schwere Atome22
Formalladung0
Komplexität360
PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
GeruchVery mild odor
Dichte1.078 (NTP, 1992) - Denser than waterwill sink1.076 at 25 °C1.1027 (rough estimate)
Color/FormColorless liquidClear liquid
LöslichkeitInsoluble (<1 mg/ml at 68 °F) (NTP, 1992)Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/Miscible with most organic solventsChloroform (Slightly), Ethyl Acetate (Slightly)
Flammpunktgreater than 200 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Siedepunkt189-222 °C at 5 mm Hg405.2°C (rough estimate)
Physical DescriptionButyl cyclohexyl phthalate is a clear brown slightly viscous liquid with a very mild odor. (NTP, 1992)Insoluble in water (0.28 mg/L at 25 deg C)[ChemIDplus] Clear liquid[HSDB] Clear brown liquid[CAMEO]
Other Experimental PropertiesSaponification number 369acidity (as phthalic acid) 0.01% maxPhthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/
Schmelzpunkt25°C
Brechungsindex1.5400 (estimate)
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandOil
FarbeClear Colourless
Henry-Konstante1.0×101 mol/(m3Pa) at 25℃, HSDB (2015)
StabilitätStable. Hydrolyzes under low or high pH conditions. Incompatible with strong oxidizing agents.
EPA chemische InformationenButyl cyclohexyl phthalate (84-64-0)

Sicherheit & Vorschriften

GHS-EinstufungDangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische InformationenChemical: 1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester
Weitere SicherheitsinformationenIMAP assessments - Phthalate esters: Environment tier II assessment
BrandgefahrenThis chemical is probably combustible. (NTP, 1992)
BrandpotenzialCombustible.
GesundheitsgefahrenSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, nose and mucous membranes.
GefahrenübersichtSee PHTHALATE ESTERS.
Reaktive GruppeEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special ReportsUSEPAAmbient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067Woodward KN (ed)Phthalate Esters: Toxicity and Metabolism (1988)Environ Health Perspect 45: 1-210 (1982)USEPA/ECAOAtlas Document for: Phthalate Esters (1980)
TSCA-AnforderungenPursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Butyl cyclohexyl phthalate is included on this list. Effective date 10/04/82Sunset date 10/04/92.
Reactivity ProfileAn 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.

Anwendungen & Verwendung

Verwenden

Cyclohexyl Butyl Phthalate is an phthalate ester derivative that exhibits potential estrogenic activities.

Air and Water ReactionsInsoluble in water. This compound will hydrolyze under high or low pH conditions. (NTP, 1992).
BrandbekämpfungFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Preventive MeasuresSRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Gesundheitliche AuswirkungenPhthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called 'phthalate syndrome’. (A2883)
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5,100(SRC), determined from a structure estimation method(2), indicates that butyl cyclohexyl phthalate is expected to be immobile in soil(SRC). Volatilization of butyl cyclohexyl phthalate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.5X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Butyl cyclohexyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.77X10-6 mm Hg(4). Biodegradation data for butyl cyclohexyl phthalate were not available(SRC, 2008). However, by analogy to dicyclohexylphthalate which reached 68.5% of its theoretical BOD in the Japanese MITI test(5), butylcyclohexyl phthalate may be subject to biodegradation in the environment(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5100(SRC), determined from a structure estimation method(2), indicates that butyl cyclohexyl phthalate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 9.5X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 2900(SRC), from an estimated log Kow of 5.41(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). However, bioconcentration studies on compounds which are structurally similar suggest that bioconcentration may be lower than that indicated by the regression-derived equations due to the ability of aquatic organisms to readily metabolize this class of compounds(8). Hydrolysis is not expected to be an important process(SRC) based on estimated hydrolysis half-lives of 5.3 years and 190 days at pHs 7 and 8, respectively(9). Biodegradation data for butyl cyclohexyl phthalate were not available(SRC, 2008). However, by analogy to dicyclohexylphthalate which reached 68.5% of its theoretical BOD in the Japanese MITI test(10), butylcyclohexyl phthalate may be subject to biodegradation in the environment(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), butyl cyclohexyl phthalate, which has a vapor pressure of 4.77X10-6 mm Hg at 25deg C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase butyl cyclohexyl phthalate 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 23 hours(SRC), calculated from its rate constant of 1.7X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase butyl cyclohexyl phthalate may be removed from the air by wet or dry deposition(SRC). Butyl cyclohexyl phthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
ExpositionspfadeOral (L1903)inhalation (L1903)dermal (L1903)
ToxizitätsübersichtPhthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (A2883)
Signs and SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883)
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=84-64-0][Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=84-64-0]
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of butyl cyclohexyl phthalate can be estimated to be 5,100(SRC). According to a classification scheme(2), this estimated Koc value suggests that butyl cyclohexyl phthalate is expected to be immobile in soil.
Artificial Pollution SourcesButyl cyclohexyl phthalate's production and use as a plasticizer(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: Biodegradation data for butyl cyclohexyl phthalate were not available(SRC, 2008). However, by analogy to dicyclohexylphthalate which when present at 100 mg/L reached 68.5% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1), butylcyclohexyl phthalate may be subject to biodegradation in the environment(SRC).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Environmental BioconcentrationAn estimated BCF of 2,900 was calculated in fish for butyl cyclohexyl phthalate(SRC), using an estimated log Kow of 5.41(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC). However, bioconcentration studies on compounds which are structurally similar suggest that bioconcentration may be lower than that indicated by the regression-derived equations due to the ability of aquatic organisms to readily metabolize this class of compounds(4).
TSCA-Inventar-StatusTSCA listed
Gefahrstoffdaten84-64-0(Hazardous Substances Data)