基本情報
- 標準SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C- InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N- 分子式
- C26H50O4
- 平均分子量
- 426.7 g/mol
- 単同位体質量
- 426.37091007
名称と識別子
- 優先名称
- Diisodecyl Adipate
- IUPAC
- bis(8-methylnonyl) hexanedioate
- 現地名
- アジピン酸ジイソデシル
- 英語名
- DIISODECYL ADIPATE
- 分子式
- C26H50O4
- 分子量
- 426.67
名称と別名
名称をさらに表示
データベース識別子
- CAS
142-53-0、27178-16-1- PubChem CID
- 33733
- DTXSID
DTXSID80274202- ChEMBL
CHEMBL3182959- UNII
- 3V0Q382O0P
- EC Number
- 248-299-9
- Nikkaji
- J475.150G
物性
構造計算による物性
- XLogP
- 9
- 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
- 23
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 366
実験および物理化学的性質
Kovats Retention Index
2745;2745
2782
物理化学的性質
- 融点
- -59 °C · -59°C
- 沸点
- 282 °C · 282°C
- 比重(密度)
- 0 · 0,92 g/cm3
- Pour Point
- -72 · -72
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.483 · 1.483
- 闪点
- 229 °C · 229°C
- 溶解性
- ヘキサン、トルエン、エタノール、アセトン:可溶
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- 臭い (Odor)
- プラスチック臭
- 水溶解度
- 100 μg/L · 100μg/L at 25℃
- 凝固点
- -50 ℃ · -50℃
- 化粧品成分の機能
- 溶媒皮膚コンディショニング剤 - 保湿剤可塑剤スキンコンディショニング
- InChI
- 1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
- InChIKey
- YKGYQYOQRGPFTO-UHFFFAOYSA-N
- SMILES
- CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
- LogP
- 11.06 at · 11.06 at 25℃
- CAS データベース
- 27178 · 27178-16-1(CAS DataBase Reference)
- EPAの化学物質情報
- Diisodecyl adipate (27178-16-1)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (245 of 249) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 245 of 249 companies (only 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 249 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 245 of 249 reports by companies.;There are 2 notifications provided by 4 of 249 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: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl ester 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
法規制情報
Regulatory Information
Chemical: Hexanedioic acid, diisodecyl ester
Hexanedioic acid, 1,6-diisodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-diisodecyl ester 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: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16083
Hexanedioic acid, diisodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- nwg
- tsca
- TSCA listed
- rtecs
- AV1485000
- hs_code
- 29171200
- 化審法
- (2)-861, (2)-879
- 消防法
- 危-4-4-III
- safety_code
- 24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing;Primary Metal Manufacturing;Plastics Product Manufacturing;Custom Compounding of Purchased Resins;Rubber Product Manufacturing;Machinery Manufacturing;Adhesive Manufacturing;All Other Chemical Product and Preparation Manufacturing
Hexanedioic acid, 1,6-diisodecyl ester: ACTIVE
応用分野
用途アジピン酸ジイソデシルは低揮発性と耐寒性とを兼ね備えた可塑剤で、特殊フィルムや電線等の用途向けに使用されます。揮発減量はDOAの3分の1程度です。特殊フィルムや電線等の用途向け可塑剤として適しています。
使用Diisodecyl adipate is an adipate-based plasticizer that can be used in the development of biodegradable films using thermoplastic starch and poly(lactic acid). It may be used in the preparation of cellulose triacetate based films for the fabrication of optical devices. Diisodecyl adipate may form a blend with PVC to form polymeric membranes on electrodes for electrochemical applications.
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補足説明
定義本品は、アジピン酸(*)とイソデシルアルコールのジエステルであり、次の化学式で表される。参照表示名称:アジピン酸
関連反応
関連ノート
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