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ヘキサデカメチルトリデカンヘプタシロキサン

Hexadecamethylheptasiloxane

HCID 10912
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
541-01-5
標準SMILES
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChIKey
NFVSFLUJRHRSJG-UHFFFAOYSA-N
分子式
C16H48O6Si7
平均分子量
533.1 g/mol
単同位体質量
532.18357499

概要

Hexadecamethylheptasiloxane is an organosiloxane that is heptasiloxane in which all the hydrogens have been replaced by methyl groups.

名称と識別子

優先名称
Hexadecamethylheptasiloxane
IUPAC
bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
現地名
ヘキサデカメチルトリデカンヘプタシロキサン
英語名
hexadecamethylheptasiloxane
分子式
C16H48O6Si7
分子量
533.15

名称と別名

HEXADECAMETHYLHEPTASILOXANEHeptasiloxane, hexadecamethyl-HSDB 8420EINECS 208-763-3Heptasiloxane, 1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-hexadecamethyl-DTXSID8060242CHEBI:132295HEPTASILOXANE, HEXADECAMETHYLRefChem:145944DTXCID8041589Heptasiloxane, 1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13hexadecamethyl208-763-3
名称をさらに表示
ヘプタ(ジメチルシロキサン)ヘキサデカメチルヘプタシロキサンヘキサデカメチルトリデカンヘプタシロキサンHepta(dimethylsiloxane)DK812DKSI213DKSI162DKFELEX0210Simethicone Impurity 24Hexadecyl heptasiloxanedecahexamethylheptasiliconoxyalkaneHexadecamethyltridecaneheptasiloxane
NFVSFLUJRHRSJG-UHFFFAOYSA-N541-01-5Hexadecamethyl heptasiloxane1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-Hexadecamethylheptasiloxanebis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilaneMFCD05663924C16H48O6Si7Heptasiloxane, hexa

物性

構造計算による物性

極性表面積
55.4 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
12
重原子数
29
形式電荷
0
複雑度
493

実験および物理化学的性質

Chemical Classes · 2 件

Metals -> Metalloid Compounds (Silicon)

Siloxane

SpringerMaterials PropertiesBoiling point
Density0.9012 g/cu cm at 20 °C
Color/FormLiquid
SolubilityVery soluble in benzene, ligroin
Boiling Point · 2 件

286.8 °C

BP: 270 °C

Melting Point-78 °C
Vapor Pressure5.55X10-4 mm Hg at 25 °C (extrapolated)
Refractive IndexIndex of refraction: 1.3965 at 20 °C/D
Heat of Vaporization60.8 kJ/mol

物理化学的性質

融点
-78 °C · -78°C
沸点
286.79 °C · 286.79°C

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 · 3 件

This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.

Not Classified

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazards SummarySee Octamethyltrisiloxane and Dimethoxydimethylsilane.
TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 10/12/93; Reporting date: 2/28/94.

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. Hexadecamethylheptasiloxane is included on this list. Effective date: 10/12/93; Sunset date: 6/30/98.

Hazard Classes and CategoriesNot Classified

安全と保護具

Disposal Methods · 1 件

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

毒性情報

化学と産業

用途と製造

General Manufacturing Information · 2 件

Heptasiloxane, 1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-hexadecamethyl-: ACTIVE

Silicone fluids are used as damping fluids, dielectric fluids, polishes, cosmetic and personal care additives, textile finishes, hydraulic fluids, paint additives, photocopy fuser oils, and heat-transfer oils. /Silicone fluids/

上流・下流製品情報

下流製品

オクタメチルトリシロキサンヘキサメチルジシロキサン

サプライヤー53 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

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

データベース識別子

CAS
541-01-5
PubChem CID
10912
DTXSID
DTXSID8060242
ChEBI
CHEBI:132295
UNII
SCX8MCG39Z
EC Number
208-763-3
Nikkaji
J120.963I
比重(密度)
0.9012 · 0.9012
屈折率
1.3965 · 1.3965
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
外見
液体
Henry's Law Constant
7.6 · 7.6×10-9 mol/(m3Pa) at 25℃, Mazzoni et al. (1997)
InChI
InChI=1S/C16H48O6Si7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h1-16H3
InChIKey
NFVSFLUJRHRSJG-UHFFFAOYSA-N
SMILES
[Si](C)(C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
EPAの化学物質情報
Heptasiloxane, hexadecamethyl- (541-01-5)
Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 6.8X10+7(SRC), determined from a structure estimation method(2), indicates that hexadecamethylheptasiloxane is expected to be immobile in soil(SRC). Volatilization of hexadecamethylheptasiloxane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10+4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Hexadecamethylheptasiloxane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 5.55X10-4 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2018).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.8X10+7(SRC), determined from a structure estimation method(2), indicates that hexadecamethylheptasiloxane 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 1.4X10+4 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 7 hrs and 9 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 2000 yrs if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 26(SRC), from an estimated log Kow of 12.52(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2018).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), hexadecamethylheptasiloxane, which has an extrapolated vapor pressure of 5.55X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase hexadecamethylheptasiloxane 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 6 days(SRC), calculated from its rate constant of 2.5X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Hexadecamethylheptasiloxane 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).

Toxicity Summary · 1 件

IDENTIFICATION AND USE: Hexadecamethylheptasiloxane is an organosiloxane that is heptasiloxane in which all the hydrogens have been replaced by methyl groups. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: There are no data available.

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexadecamethylheptasiloxane can be estimated to be 6.8X10+7(SRC). An estimated log Koc of 6.45 (Koc 3.6X10+6) has also been reported(2). According to a classification scheme(3), these estimated Koc values suggest that hexadecamethylheptasiloxane is expected to be immobile in soil(SRC).

Artificial Pollution Sources · 1 件

Silicone fluids', which include hexadecametjhylheptasiloxane, production and use as damping fluids, dielectric fluids, polishes, cosmetic and personal care additives, textile finishes, hydraulic fluids, paint additives, photocopy fuser oils, and heat-transfer oils(1) may result in their release to the environment through various waste streams(SRC).

Environmental Bioconcentration · 1 件

An estimated BCF of 26 was calculated in fish for hexadecamethylheptasiloxane(SRC), using an estimated log Kow of 12.52(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for hexadecamethylheptasiloxane is estimated as 1.4X10+4 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that hexadecamethylheptasiloxane is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 hrs hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 9 days(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 2000 yrs if adsorption is considered(3). Hexadecamethylheptasiloxane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecamethylheptasiloxane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 5.55X10-4 mm Hg(4).

Environmental Abiotic Degradation · 1 件

Hexadecamethylheptasiloxane is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Hexadecamethylheptasiloxane does not contain chromophores that absorb at wavelengths >290 nm(1) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Probable Routes of Human Exposure · 2 件

Occupational exposure to hexadecamethylheptasiloxane may occur through inhalation and dermal contact with this compound at workplaces where hexadecamethylheptasiloxane is produced or used. Use data indicate that the general population may be exposed to hexadecamethylheptasiloxane via dermal contact with consumer products containing hexadecamethylheptasiloxane. (SRC)

... Low molecular weight siloxanes are used in industrial processes and consumer products, and their vapors have been detected in the atmospheres of the Space Shuttle and International Space Station. Therefore, the National Aeronautics and Space Administration (NASA) developed spacecraft maximum allowable concentrations (SMACs) for siloxane vapors to protect astronaut health. Since publication of these original SMACs, new studies and new risk assessment approaches have been published that warrant re-examination of the SMACs. OBJECTIVE: To reevaluate SMACs published for octamethyltrisiloxane (L3) for exposures ranging from 1 hour to 180 days, to develop a 1000-day SMAC, and to expand the applicability of those values to the family of linear siloxanes. METHODS: A literature review was conducted to identify studies conducted since the SMACs for L3 were set in 1994. The updated data were reviewed to determine the sensitive toxicity endpoints, and current risk assessment approaches and methods for dosimetric adjustments were evaluated. RESULTS: Recent data were used to update the original 1-hour, 24-hour, 30-day, and 180-day SMACs for L3, and a 1000-day SMAC was developed to protect crewmembers during future exploration beyond Earth orbit. Group SMACs for the linear siloxane family, including hexamethyldisiloxane (L2), L3, decamethyltetrasiloxane (L4), and dodecamethylpentasiloxane (L5), were set for exposures of 1-hour to 1000 days. CONCLUSION: New SMACs, based on acute pulmonary and neurotoxicity at high doses only achievable with L2 and potential liver effects following longer-term exposures to L2 and L3, were established to protect crewmembers from the adverse effects of exposure to linear siloxanes. /Linear Siloxanes/

Environmental Fate/Exposure Summary · 1 件

Silicone fluids', which include hexadecametjhylheptasiloxane, production and use as damping fluids, dielectric fluids, polishes, cosmetic and personal care additives, textile finishes, hydraulic fluids, paint additives, photocopy fuser oils, and heat-transfer oils may result in their release to the environment through various waste streams. If released to air, an extrapolated vapor pressure of 5.55X10-4 mm Hg at 25 °C indicates hexadecamethylheptasiloxane will exist solely as a vapor in the atmosphere. Vapor-phase hexadecamethylheptasiloxane will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 6 days. Hexadecamethylheptasiloxane does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. If released to soil, hexadecamethylheptasiloxane is expected to be immobile based upon an estimated Koc of 6.8X10+7. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.4X10+4 atm-cu m/mole. However, adsorption to soil is expected to attenuate volatilization. Biodegradation data in soil or water where not available. If released into water, hexadecamethylheptasiloxane is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. An estimated BCF of 26 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to hexadecamethylheptasiloxane may occur through inhalation and dermal contact with this compound at workplaces where hexadecamethylheptasiloxane is produced or used. Use data indicate that the general population may be exposed to hexadecamethylheptasiloxane via dermal contact with consumer products containing hexadecamethylheptasiloxane. (SRC)

Antidote and Emergency Treatment · 3 件

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

法規制情報

TSCA Requirements · 2 件

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 10/12/93; Reporting date: 2/28/94.

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. Hexadecamethylheptasiloxane is included on this list. Effective date: 10/12/93; Sunset date: 6/30/98.

安全データ

tsca
TSCA listed
hs_code
2931900090
有毒物質データの
541-01-5(Hazardous Substances Data)
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
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Aladdin Scientific[email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]