基本情報
- CAS
70969-70-9- 標準SMILES
CCCCC(CC)COC(=O)CC(C)CC(C)(C)C- InChIKey
LCVHZNSIAYNAGX-UHFFFAOYSA-N- 分子式
- C17H34O2
- 平均分子量
- 270.5 g/mol
- 単同位体質量
- 270.25588032
概要
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
名称と識別子
- 優先名称
- Ethylhexyl Isononanoate
- IUPAC
- 2-ethylhexyl 3,5,5-trimethylhexanoate
- 現地名
- 3,5,5-トリメチルヘキサン酸2-エチルヘキシル
- 英語名
- 2-ethylhexyl 3,5,5-trimethylhexanoate
- 分子式
- C17H34O2
- 分子量
- 270.45
名称と別名
2-Ethylhexyl 3,5,5-trimethylhexanoateOctyl isononanoateDragoxat 89ETHYLHEXYL ISONONANOATEI6KB4GE3K4DUB INOHexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl esterEINECS 275-073-7Isononanoic acid, 2-ethylhexyl esterPELEMOL 892-ethylhexyl isopelargonateDERMOL 89
名称をさらに表示
3,5,5-トリメチルヘキサン酸2-エチルヘキシルイソノナン酸オクチル2-エチルヘキシル＝3，5，5，-トリメチルヘキサノアート2-エチルヘキシル 3,5,5-トリメチルヘキサノアートEthylhexyl isonanonateisonanoic acidethylhexyl ester3,5,5-Trimethylhexanoic acid 2-ethylhexyl ester
ES 108109CORUM 5021AEC ETHYLHEXYL ISONONANOATEHALLSTAR OCTYL ISONONANOATEEINECS 275-637-2RefChem:596769DTXSID1029542ETHYLHEXYL ISONONANOATE [INCI]
データベース識別子
- CAS
70969-70-9、71566-49-9、84878-30-8- PubChem CID
- 116723
- DTXSID
DTXSID60867974- UNII
- I6KB4GE3K4
- EC Number
- 275-073-7、275-637-2、284-421-7
- Nikkaji
- J288.713D
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 11
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 240
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Ethylhexyl Isononanoate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical Description
Liquid
Liquid
物理化学的性質
- 沸点
- 283.5 ℃[at · 283.5℃[at 101 325 Pa]
- 比重(密度)
- 0.86 · 0.86[at 20℃]
- 蒸気圧
- 0.094 Pa · 0.094Pa at 25℃
- 水溶解度
- 1 μg/L · 1μg/L at 20℃
- LogP
- 7.164 at · 7.164 at 25℃
- EPAの化学物質情報
- 2 · 2-Ethylhexyl 3,5,5-trimethylhexanoate (70969-70-9)
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
This chemical does not meet GHS hazard criteria for 100% (497 of 497) of all reports.
Not Classified
Aggregated GHS information provided per 497 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports.
Warning
H373 (95.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
危険有害性情報
Regulatory Information
Chemical: Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester
Chemical: Isononanoic acid, 2-ethylhexyl ester
Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl 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)
Isononanoic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isononanoic acid, 2-ethylhexyl 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)
REACH registered substance: 2-ethylhexyl 3,5,5-trimethylhexanoate (EC: 275-073-7)
Isononanoic acid, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Waxy esters of 2-ethylhexanol: Human health tier III assessment
Hazard Classes and Categories
STOT RE 2 (95.6%)
Not Classified
毒性情報
化学と産業
用途と製造
UsesCIR ingredient: Ethylhexyl Isononanoate
U.S. Production
2023: <75,000 lb
2023: 103,385 lb
Consumer Uses
Surface modifier
Other
Industry Uses
Surface modifier
Other
Household Products
Information on 3 consumer products that contain Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester in the following categories is provided:
Information on 16 consumer products that contain 2-Ethylhexyl isononanoate in the following categories is provided:
Information on 2 consumer products that contain Octyl isononanoate in the following categories is provided:
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Other (requires additional information)
Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester: ACTIVE
Isononanoic acid, 2-ethylhexyl ester: ACTIVE
応用分野
用途トリートメント / コンディショナー,クレンジング,化粧水 / 乳液 / クリーム,ファンデーション / 下地,UVケア
補足説明
定義本品は、イソノナン酸と2-エチルヘキシルアルコールのエステルであり、次の化学式で表される。
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