基本情報
- CAS
7425-14-1- 標準SMILES
CCCCC(CC)COC(=O)C(CC)CCCC- InChIKey
OUCGJMIVSYHBEC-UHFFFAOYSA-N- 分子式
- C16H32O2
- 平均分子量
- 256.42 g/mol
- 単同位体質量
- 256.24023026
概要
The Panel concluded that the alkyl ethylhexanoates, listed below, are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Ethylhexyl Ethylhexanoate...
名称と識別子
- 優先名称
- 2-Ethylhexyl 2-ethylhexanoate
- IUPAC
- 2-ethylhexyl 2-ethylhexanoate
- 現地名
- 2-エチルヘキサン酸2-エチルヘキシル
- 英語名
- 2-ethylhexyl 2-ethylhexanoate
- 分子式
- C16H32O2
- 分子量
- 256.42
名称と別名
2-Ethylhexyl 2-ethylhexanoate7425-14-12-Ethylhexyl-2-ethylhexanoateETHYLHEXYL ETHYLHEXANOATEEINECS 231-057-1BRN 1777190UNII-430RJA6715430RJA6715OCTYL OCTANOATE (RIFM)DTXSID90524784-02-00-01005 (Beilstein Handbook Reference)HEXANOIC ACID, 2-ETHYL, 2-ETHYLHEXYL ESTER
名称をさらに表示
2-エチルヘキサン酸2-エチルヘキシル2-エチルヘキシル＝2-エチルヘキサノアートエチルヘキサン酸エチルヘキシル2-エチルヘキシル 2-エチルヘキサノアートDRAGOXAT EHDragoxate EH2-octyl octanoate2-ETHYHEXYL 2-ETHYLHEXANOATE2-Ethylhexyl-2-ethylhexanoat
RefChem:86968DTXCID0031051ETHYLHEXYL ETHYLHEXANOATE [INCI]OUCGJMIVSYHBEC-UHFFFAOYSA-NHEXANOIC ACID, 2-ETHYL-, 2-ETHYLHEXYL ESTER2-Ethylhexyl -2-ethylhexanoateHexanoic acid,2-ethyl-, 2-ethylhexyl ester2-Ethylhexanoic acid, 2-ethylhexyl ester
データベース識別子
- CAS
7425-14-1
物性
構造計算による物性
- XLogP
- 6.1
- 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
- 12
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Ethylhexyl Ethylhexanoate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionLiquid
物理化学的性質
- 融点
- -18.1 °C · -18.1°C (estimate)
- 沸点
- 299.67 °C · 299.67°C (estimate)
- 比重(密度)
- 0.8561 · 0.8561 (estimate)
- 屈折率
- 1.4096 · 1.4096 (estimate)
- 溶解性
- Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
- 外見
- Oil
- 色
- Colourless
- 臭い (Odor)
- 100 · 100.00?%で。フルーティーな
- 化粧品成分の機能
- 香料皮膚コンディショニング剤 - 保湿剤
- LogP
- 6.587 · 6.587 (est)
- EPAの化学物質情報
- 2 · Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester (7425-14-1)
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
Warning
H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H361 (99.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, 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)
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: Human health tier II assessment
Hazard Classes and Categories
Repr. 2 (99.6%)
Reproductive toxicity - category 2
Repr. 2
毒性情報
Toxicity Summary
The Panel concluded that the alkyl ethylhexanoates, listed below, are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Ethylhexyl Ethylhexanoate...
Safe for use in cosmetics, with qualifications
安全データ
化学と産業
用途と製造
UsesCIR ingredient: Ethylhexyl Ethylhexanoate
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesLubricating agent
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
Fabricated Metal Product Manufacturing
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester: ACTIVE
上流・下流製品情報
下流製品
サプライヤー26 社
北京华美互利生物化工010-56205725 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
吉良化学21-62165282 · [email protected]
関連反応
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化合物ノート
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