ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

フタル酸1-ブチル2-シクロヘキシル

Butyl cyclohexyl phthalate

HCID 6779
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
84-64-0
標準SMILES
CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1
InChIKey
BHKLONWXRPJNAE-UHFFFAOYSA-N
分子式
C18H24O4
平均分子量
304.4 g/mol
単同位体質量
304.16745924

概要

Butyl cyclohexyl phthalate is a clear brown slightly viscous liquid with a very mild odor. (NTP, 1992)

名称と識別子

優先名称
Butyl cyclohexyl phthalate
IUPAC
1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate
現地名
フタル酸1-ブチル2-シクロヘキシル
英語名
Butyl cyclohexyl phthalate
分子式
C18H24O4
分子量
304.38

名称と別名

BUTYL CYCLOHEXYL PHTHALATECyclohexyl butyl phthalate1,2-Benzenedicarboxylic acid, butyl cyclohexyl esterPhthalic acid, butyl cyclohexyl esterCCRIS 6189HSDB 44881-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylateEINECS 201-548-5NSC 69994Elastex 50BUNII-BI70L704B7BI70L704B7
名称をさらに表示
フタル酸1-ブチル2-シクロヘキシルフタル酸シクロヘキシルブチルフタル酸ブチルシクロヘキシル1-ブチル 2-シクロヘキシル ベンゼン-1,2-ジカルボキシラートcyclohexylbutylphthalateN-BUTYL-CYCLOHEXYLPHTHALATECyclohexyl n-butyl phthalatephthalicacid,butylcyclohexylesterButyl cyclohexyl phthalate SolutionButyl Cyclohexyl Phthalate (Tech Mix)
NSC-699941-Butyl 2-cyclohexyl phthalateDTXSID50246891,2-Benzenedicarboxylic acid, 1-butyl 2-cyclohexyl esterBUTYL CYCLOHEXYL PHTHALATE [HSDB]RefChem:1222411-butyl 2-cyclohexyl benzene-1,2-dicarboxylateButyl cyclohexyl phthalic acid

データベース識別子

物性

構造計算による物性

XLogP
5.3
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
8
重原子数
22
形式電荷
0
複雑度
360

実験および物理化学的性質

PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
OdorVery mild odor
Density · 2 件

1.078 (NTP, 1992) - Denser than water; will sink

1.076 at 25 °C

Color/Form · 2 件

Colorless liquid

Clear liquid

Solubility · 3 件

Insoluble (<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 solvents

Flash Pointgreater than 200 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point189-222 °C at 5 mm Hg
Physical Description · 2 件

Butyl cyclohexyl phthalate is a clear brown slightly viscous liquid with a very mild odor. (NTP, 1992)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H317 (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.

危険有害性情報

Regulatory InformationChemical: 1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester
Other Safety InformationIMAP assessments - Phthalate esters: Environment tier II assessment
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Fire PotentialCombustible.
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, nose and mucous membranes.
Hazards SummarySee PHTHALATE ESTERS.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special Reports · 4 件

USEPA; Ambient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067

Woodward KN (ed); Phthalate Esters: Toxicity and Metabolism (1988)

Phthalate Esters; Environ Health Perspect 45: 1-210 (1982)

USEPA/ECAO; Atlas Document for: Phthalate Esters (1980)

TSCA Requirements · 1 件

Pursuant 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 10/04/82; Sunset date 10/04/92.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Phthalate esters are first hydrolyzed to their monoester derivative. Once formed, the monoester derivative can be further hydrolyzed in vivo to phthalic acid or conjugated to glucuronide, both of which can then be excreted. The terminal or next-to-last carbon atom in the monoester can also be oxidized to an alcohol, which can be excreted as is or first oxidized to an aldehyde, ketone, or carboxylic acid. The monoester and oxidative metabolites are excreted in the urine and faeces. (A2884)

用途と製造

Uses · 4 件

Used as plasticizer for polymers, elastomers, and nitrocellulose lacquers; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

Plasticizer for polymers and elastomers; nitrocellulose lacquers.

Phthalate esters are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles. Phthalates are used in a variety of household applications such as shower curtains, vinyl upholstery, adhesives, floor tiles, food containers and wrappers, and cleaning materials. Personal care items containing phthalates include perfume, eye shadow, moisturizer, nail polish, liquid soap, and hair spray. (L1903)

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4946]
General Manufacturing Information · 2 件

1,2-Benzenedicarboxylic acid, 1-butyl 2-cyclohexyl ester: ACTIVE

The first step, alcoholysis of phthalic anhydride (PA) to give the monoester, is rapid and goes to completion. The reaction generally starts at elevated temperatures and proceeds exothermically. The second step is the conversion of the monoester to a diester with the formation of water. This is a reversible reaction and proceeds more slowly than the first, thus determining the overall rate of reaction. To shift the equilibrium towards the diester, the water of reaction is removed by distillation. The rate of reaction can be influenced by the choice of catalyst and the reaction temperature. For fast conversion rates, high reaction temperatures are generally used. However, these are influenced by the boiling point of the alcohol and/or the type of catalyst. ... Currently, nearly all major phthalate producers use amphoteric catalysts for the esterification of high boiling alcohols. ... The reaction temperatures for the amphoteric catalysts are about 200 °C. At this temperature side reactions are minimized, and the alcohol can be recycled without purification. By using this type of catalyst, over 99.5 % conversion to diester can be achieved. /Phthalates/

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
CAS
84-64-0
PubChem CID
6779
DTXSID
DTXSID5024689
UNII
BI70L704B7
EC Number
201-548-5
Nikkaji
J192.617I

Insoluble in water (0.28 mg/L at 25 deg C); [ChemIDplus] Clear liquid; [HSDB] Clear brown liquid; [CAMEO]

Other Experimental Properties · 3 件

Saponification number 369; acidity (as phthalic acid) 0.01% max

Phthalate 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/

物理化学的性質

融点
25 °C · 25°C
沸点
405.2 °C · 405.2°C (rough estimate)
比重(密度)
1.1027 · 1.1027 (rough estimate)
屈折率
1.54 · 1.5400 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム(微量)、酢酸エチル(微量)
外見
油
色
無色透明
Henry's Law Constant
1 · 1.0×101 mol/(m3Pa) at 25℃, HSDB (2015)
安定性
安定。低または高pH条件下で加水分解します。強力な酸化剤とは相容れない。
EPAの化学物質情報
Butyl cyclohexyl phthalate (84-64-0)

化学的性質

化学的特性brown liquid

Reactivity Profile · 1 件

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.

Air and Water ReactionsInsoluble in water. This compound will hydrolyze under high or low pH conditions. (NTP, 1992).

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: 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.

Nonfire Spill Response · 1 件

SMALL 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.

Disposal Methods · 1 件

SRP: 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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Preventive Measures · 1 件

SRP: 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) · 1 件

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)

毒性情報

Health Effects · 1 件

Phthalate 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)

Environmental Fate · 3 件

TERRESTRIAL 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).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesOral (L1903) ; inhalation (L1903) ; dermal (L1903)
Toxicity Summary · 1 件

Phthalate 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 Status · 1 件

The 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/Mobility · 1 件

Using 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 Biodegradation · 1 件

AEROBIC: 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 Bioconcentration · 1 件

An 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).

法規制情報

TSCA Requirements · 1 件

Pursuant 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 10/04/82; Sunset date 10/04/92.

安全データ

tsca
TSCA listed
有毒物質データの
84-64-0(Hazardous Substances Data)

応用分野

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

一般的な説明Clear brown slightly viscous liquid with a very mild odor.

サプライヤー37 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爱诗伦生物科技(上海)有限公司021-50676523 18019098996 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南赢创生物科技有限公司16650708709 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Honest Joy Holdings Limited755-36694831 +8613798234863 · [email protected]