基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OCCCCCCCCCCCCCCCCCC)OC2- InChIKey
PZRWFKGUFWPFID-UHFFFAOYSA-N- 分子式
- C41H82O6P2
- 平均分子量
- 733 g/mol
- 単同位体質量
- 732.55866433
名称と識別子
- 優先名称
- Distearyl pentaerythritol diphosphite
- IUPAC
- 3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
- 現地名
- 3,9-ビス(オクタデシルオキシ)-2,4,8,10-テトラオキサ-3,9-ジホスファスピロ[5.5]ウンデカン
- 英語名
- O,O'-Dioctadecylpentaerythritol bis(phosphite)
- 分子式
- C41H82O6P2
- 分子量
- 733.03
名称と別名
名称をさらに表示
データベース識別子
- CAS
3806-34-6- PubChem CID
- 19645
- DTXSID
DTXSID2027549- UNII
- VYL51769RX
- EC Number
- 223-276-6
- Nikkaji
- J217.691B
物性
構造計算による物性
- XLogP
- 17.3
- 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
- 36
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 611
実験および物理化学的性質
Physical Description
Liquid; Large Crystals
White waxy flakes; [MSDSonline]
物理化学的性質
- 融点
- 44 · 44-47 °C(lit.)
- 沸点
- 692.2 · 692.2±55.0 °C(Predicted)
- 比重(密度)
- 1.05 · 1.05[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- solid
- 水溶解度
- 330 ng/L · 330ng/L at 25℃
- InChIKey
- PZRWFKGUFWPFID-UHFFFAOYSA-N
- SMILES
- C1C2(COP(OCCCCCCCCCCCCCCCCCC)OC2)COP(OCCCCCCCCCCCCCCCCCC)O1
- LogP
- 16.4 at · 16.4 at 25℃
- EPAの化学物質情報
- 2 · 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- (3806-34-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 38% (101 of 266) of reports.
Danger
H340 (14.3%): May cause genetic defects [Danger Germ cell mutagenicity];H360 (14.3%): May damage fertility or the unborn child [Danger Reproductive toxicity];H413 (43.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 266 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 101 of 266 reports by companies.;There are 3 notifications provided by 165 of 266 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11711
2,4,8,10-Tetraoxa-3,9-diphosphaspiro5.5undecane, 3,9-bis(octadecyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Special Reports
The U.S. high production volume (HPV) chemicals are those which are manufactured in or imported into the United States in amounts equal to or greater than one million pounds per year. Robust Summaries include health effects, ecotoxicity data, and environmental fate information for selected chemicals. EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Available from: http://www.epa.gov/chemrtk/viewsrch.htm on 2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane,3,9-bis(octadecyloxy)- as of November 3, 2004.
安全と保護具
Disposal Methods
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.
毒性情報
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ /Following application of 10% distearyl pentaerythritol diphosphite in cottonseed oil to the eyes of 6 rabbits/ ...the test material produced a very mild conjunctival effect in two of the animals which cleared by the second day of observation.
/LABORATORY ANIMALS: Acute Exposure/ /Following 2000 mg/kg distearyl pentaerythritol diphosphite applied to the dermis of ten white New Zealand rabbits/ ... the test material induced very slight to moderate erythema on all rabbits and very slight edema on eight rabbits. Desquamation was present on 8 sites by day 7 and one site by day 14. There were no other dermal findings. Three sites had very slight erythema and/or desquamation at study termination (day 14).
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ /In a 90 day dietary study, Charles River albino rats were exposed to /Distearyl Pentaerythritol Diphosphite/ at concentrations of 0, 300, 1000, 3000 ppm/ ... Statistical comparisons of final body weights and total weight gains revealed no significant differences between test and control rats. ... The only statistically significant difference reported was the liver/body weight ratio for the 3000 ppm males. The authors of the study concluded that the lack of any consistent dietary or sex-related response indicates that the intergroup differences were not related to treatment. ... Six deaths occurred during the study. All of these deaths resulted from trauma incurred during the collection of blood samples. These deaths occurred in the control as well as the test groups and were not attributed to the ingestion of the test material. ... All of the lesions noted in the microscopic examination of tissues were those of spontaneous disease and are not unusual for the albino rat. The most frequent findings were lesions in the trachea and lungs, indicating chronic murine pneumonia. These occurred in the control as well as the treated rats.
/GENOTOXICITY/ /In a micronucleus assay, male and female ICR mice were exposed to ip doses of /distearyl pentaerythritol diphosphite/ of 0, 500, 1000, 2000 mg/kg bw for 24 or 48 hr./ The test article was judged negative /with/ no statistically significant increase in micronucleated polychromatic erythrocytes above the concurrent vehicle control values and no evidence of dose responses were observed at any sampling time ...
/GENOTOXICITY/ /Distearyl pentaerythritol diphosphite/ was negative in the Ames test using Salmonella strains TA 97, TA 98, TA 100, TA 102 and E. coli WP2/pKM101 at concentrations 0, 0.05, 0.1, 0.2, 9.5 ug/plate with and without metabolic activation. ... Under /study/ conditions, there was neither an increase in number of revertant cells, nor any toxicity.
Antidote and Emergency Treatment
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
Basic treatment: Establish a patent airway. 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 normal saline 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 ... . /Poison A and B/
Non-Human Toxicity Values
LD50 Rabbit dermal >2,000 mg/kg
LD50 Rat oral >1,000 mg/kg
法規制情報
Regulatory Information
Chemical: 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11711
2,4,8,10-Tetraoxa-3,9-diphosphaspiro5.5undecane, 3,9-bis(octadecyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29092000
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 3806-34-6(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a color and molecular weight stabilizer for polyolefins, polyesters, elastomers, styrenics, engineering thermoplastics, and adhesive formulations; Also used as a commercial antioxidant; [HSDB]
Working with Glues and Adhesives [Category: Other]
O,O'dioctadecylpentaerythritol bis(phosphite) (Weston 618) is used as a color and molecular weight stabilizer for polyolefins, polyesters, elastomers, styrenics, engineering thermoplastics and adhesive formulations.
Commercial antioxidant. /From table/
Plastics -> Typical concentration range in plastic materials -> 0.2%
U.S. Production
2023: 1,000,000 - <2,500,000 lb;2022: 1,000,000 - <2,500,000 lb;2021: 2,500,000 - <4,000,000 lb;2020: 2,500,000 - <4,000,000 lb
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)- 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).[EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. 2,4,8,10-Tetraoxa-3,9-diphosphaspiro
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II
Plastics -> Antioxidants
General Manufacturing Information
Synthetic Rubber Manufacturing;Plastics Product Manufacturing;Plastics Material and Resin Manufacturing
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-: ACTIVE
応用分野
使用Color stabilizer for polymers
一般的な説明3,9-Bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is a diphosphaspiro compound which contains two phosphorus atoms and can be used as an antioxidant and as a reducing agent.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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