Cyclododecane

HCID 9268CAS 294-62-2

기본 정보

표준 SMILES
C1CCCCCCCCCCC1
InChIKey
DDTBPAQBQHZRDW-UHFFFAOYSA-N
분자식
C12H24
평균 분자량
168.32 g/mol
단동위원소 질량
168.18780077

개요

cyclododecane has been reported in Terminalia chebula with data available.

이름 및 식별자

우선 이름
Cyclododecane
IUPAC
cyclododecane
영어명
CYCLODODECANE
분자식
C12H24
분자량
168.32

이름 및 동의어

CYCLODODECANE294-62-2EINECS 206-033-9DTXSID9021552HSDB 5557UNII-97CN13ZD83BRN 1901008CYCLODODECANE [HSDB]97CN13ZD83EC 206-033-94-05-00-00169 (Beilstein Handbook Reference)DTXCID401552
이름 더 보기
yclododecaneCyclododecane>Phenyl Acetate Impurity 70Cyclododecane in isooctaneCYCLODODECANE ISO 9001:2015 REACH
RefChem:129446206-033-9DDTBPAQBQHZRDW-UHFFFAOYSA-NInChI=1/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12HCyclododecanMFCD00014258AKOS006227986CAS-294-62-2

데이터베이스 식별자

CAS
294-62-2
PubChem CID
9268
DTXSID
DTXSID9021552
ChEMBL
CHEMBL3185808
UNII
97CN13ZD83
EC Number
206-033-9
Nikkaji
J43.296B

물성

구조 계산 물성

XLogP
6.7
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
SpringerMaterials PropertiesSchoenflies notation
Density0.82 g/cu cm at 80 °C
Color/FormNeedles from alcohol
SolubilityInsoluble in water; very soluble in alcohol, ethyl ether
Boiling Point247 °C

물리화학적 성질

녹는점
59 · 59-61°C
끓는 점
111 °C · 111 °C / 17mmHg
밀도
0.79 · 0.790
증기압
9.83 Pa · 9.83Pa at 20℃
굴절률
1.486 · 1.4860 (estimate)
인화점
88 ℃ · 88℃

화학적 성질

Cyclooctane and cyclononane are flammable liquids, and cyclododecane a volatile, flammable solid.

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

H413 (25%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 18-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/2097

Cyclododecane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [MSDSonline]
Special ReportsEuropean Commission, ESIS; IUCLID Dataset, Cyclododecane (294-62-2) (2000 CD-ROM edition).[Available from the Database Query page as of March 3, 2009: http://ecb.jrc.ec.europa.eu/IUCLID-DataSheets/294622.pdf]
Hazard Classes and CategoriesAquatic Chronic 4 (25%)

안전 및 보호

Disposal Methods · 1건

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.

독성 정보

Body Burden · 1건

The expired air of 62 non-smoking humans was examined for the presence of environmental pollutants and other chemical constituents(1); cyclododecane was detected in the expired air of all three subject groups (diabetic, pre-diabetic and control)(1).

Ecotoxicity Values · 2건

EC50; Species: Daphnia pulex (Water flea, neaonate <24 hr old); Conditions: freshwater, static, 17 °C, hard water; Concentration: 21000 ug/L for 48 hr; Effect: intoxication, immobilization /> or =96% purity/

EC50; Species: Scenedesmus subspicatus (Algae); Concentration: >2.1 mg/L for 72 hr; Effect: No effects on biomass or growth rate were observed. The range of test concentrations was limited by the water solubility. /Conditions of bioassay not specified in source examined/

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5,300(SRC), determined from a structure estimation method(2), indicates that cyclododecane is expected to be immobile(SRC). Volatilization of cyclododecane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.54 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Cyclododecane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.9X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). A 6% of theoretical BOD using activated sludge in the Japanese MITI test(5), suggests that biodegradation is not an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5,300(SRC), determined from a structure estimation method(2), indicates that cyclododecane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.54 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4 hours and 5 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 9 years if adsorption is considered(5). According to a classification scheme(6), a BCF range of 1,100-14,400(7) suggests that bioconcentration in aquatic organisms is very high, provided the compound is not metabolized by the organism(SRC). A 6% of theoretical BOD using activated sludge in the Japanese MITI test(7), suggests that biodegradation is not an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclododecane, which has an estimated vapor pressure of 0.029 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cyclododecane 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). Cyclododecane does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Ecotoxicity Excerpts · 1건

/AQUATIC SPECIES/ We have provided a hazard ranking for 19 classes of compounds representing many of the nearly 500 organic compounds identified by gas chromatography-mass spectrometry in lake trout (Salvelinus namaycush) and walleye (Stizostedion vitreum vitreum) from the Great Lakes and Lake St. Clair. We initially made a provisional hazard ranking based on available published and unpublished information on aquatic toxicity, bioaccumulation, occurrence and sources. Acute toxicity tests with Daphnia pulex at 17 °C in reconstituted hard water were performed with 30 compounds representative of the 19 classes that were highest in the provisional ranking. The resulting toxicity data, along with information on the compounds' occurrence in Great Lakes fish and their sources, were ranked and weighted and then used in calculating the revised hazard ranking. The 10 most hazardous classes, in descending order, are as follows (values shown are mean 48-hr EC50s, in ug/mL): arene halides (e.g., polychlorinated biphenyls, DDT), 0.0011; phthalate esters, 0.133; chlorinated camphenes (toxaphene), 0.0082; polyaromatic hydrocarbons (PAHs; e.g., dimethyl-naphthalene) and reduced derivatives, 1.01; chlorinated fused polycyclics (e.g., trans-nonachlor), 0.022; nitrogen-containing compounds (e.g., O-methylhydroxylamine), 1.35; alkyl halides (e.g., (bromomethyl)cyclohexene), 10.1; cyclic alkanes (e.g., cyclododecane), 20.9; silicon-containing compounds (e.g., dimethyldiethoxy silane), 1.25; and heterocyclic nitrogen compounds (e.g., nicotine), 2.48. We recommend that chronic bioassays be conducted with fish and invertebrates to determine the sublethal effects of the following classes of compounds, for which few toxicity data are available: PAHs, heterocyclic nitrogen compounds, other nitrogen-containing compounds, alkyl halides, cyclic alkanes and silicon-containing compounds. Information from these types of studies will aid researchers in determining the possible causal role these contaminants play in the decline and reproductive impairment of Great Lakes fish.

Effluent ConcentrationsAverage cyclododecane emissions from PVC cushion vinyl floor covering three days and four weeks old were, 56 and 31 ug/sq m-hr, respectively(1).
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of cyclododecane can be estimated to be 5,300(SRC). According to a classification scheme(2), this estimated Koc value suggests that cyclododecane is expected to be immobile in soil.

안전 데이터

tsca
TSCA listed
rtecs
GV2295000
ridadr
1325
HS 번호
29021990
safety_code
24/25
포장분류
III

화학 및 산업

용도 및 제조

Uses · 3건

Used as an intermediate for the production of chemicals to make polyamides, polyesters, synthetic lubricating oils, and nylon 12; as a high-purity solvent; as a mothproofing agent; [HSDB]

Intermediate for the production of chemicals used to make polyamides, polyesters, synthetic lubricating oils, and nylon 12; high-purity solvent. Also used as a moth proofing agent

An intermediate for the production of nylon 12

U.S. Production · 2건

Cyclododecane is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5435]

Methods of Manufacturing · 2건

Cyclododecane is produced by liquid-phase hydrogenation of 1,5,9-cyclododecatriene over nickel catalysts.

Cyclododecane ... is obtained by catalytic hydrogenation of 1,5,9-cyclododecatriene.

General Manufacturing Information · 2건

Cyclododecane: ACTIVE

THE SUBLIMATING COMPOUND CYCLODODECANE CAN BE EMULSIFIED IN WATER IN THE PRESENCE OF SURFACTANTS. THE EMULSION CAN BE USED TO EMULSIFY PESTICIDES.

응용 분야 · 1건

용도Cyclooctane and cyclononane are used as starting materials for organic synthesis. The major use of cyclododecane is as an intermediate for the production of chemicals used to make polyamides, polyesters, synthetic lubricating oils, and nylon 12; it is also used as a high-purity solvent. An emulsion of cyclododecane can be used to emulsify pesticides. It is also used as a mothproofing agent.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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