イソドデカン
2-Methylundecane
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基本情報
- CAS
31807-55-3- 標準SMILES
CCCCCCCCCC(C)C- InChIKey
GTJOHISYCKPIMT-UHFFFAOYSA-N- 分子式
- C12H26
- 平均分子量
- 170.33 g/mol
- 単同位体質量
- 170.20345083
概要
2-methylundecane is an alkane.
名称と識別子
- 優先名称
- 2-Methylundecane
- IUPAC
- 2-methylundecane
- 現地名
- イソドデカン
- 英語名
- Isododecane
- 分子式
- C12H26
- 分子量
- 170.33
名称と別名
2-Methylundecane7045-71-8Undecane, 2-methyl-H40FL8477BEINECS 230-323-4DTXSID50873241Undecane, 2methylRefChem:476305DTXCID5021590230-323-4ISODODECANE31807-55-3
名称をさらに表示
イソドデカンイソドデカン(異性体混合物)Isodoecaneisododecane, mixture of isomersIsododecane ISO 9001：2015 REACHIsododecane, mixture of isomers, tech. 80%Isododecane mixture of isomers, technical, >=80% (GC)
2-MethylhendecaneMFCD000361062 2 4 6 6-PENTAMETHYLHEPTANEisodo-decaneUNII-H40FL8477BEINECS 250-816-82-METHYL UNDECANESCHEMBL36787
データベース識別子
- CAS
31807-55-3、7045-71-8- PubChem CID
- 23459
- DTXSID
DTXSID50873241- ChEBI
CHEBI:229354- UNII
- H40FL8477B
- EC Number
- 230-323-4、250-816-8
- Nikkaji
- J125.243G
物性
構造計算による物性補完中
- XLogP
- 6.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 8
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 74.1
実験および物理化学的性質
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Cosmetics
Cosmetic ingredients (Isododecane) -> CIR (Cosmetic Ingredient Review)
Solvent; Emollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Isododecane) -> IFRA transparency List
物理化学的性質
- 沸点
- 170 · 170-195°C
- 比重(密度)
- 0.74 · 0.74
- 屈折率
- 1.421 · 1.4210
- 闪点
- 170 · 170-195°C
- 外見
- 液体
- 水溶解度
- 水と混和しない。
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- 化粧品成分の機能
- 溶媒香料皮膚コンディショニング剤 - 保湿剤
- InChI
- InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
- InChIKey
- GTJOHISYCKPIMT-UHFFFAOYSA-N
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 0.1% (2 of 1796) of reports.
Danger
H226 (22.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1796 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Isododecane
Isododecane: 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.
Undecane, 2-methyl-: 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.
Hazard Classes and Categories
Asp. Tox. 1 (100%)
Flam. Liq. 3 (22.9%)
毒性情報
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2286 3/PG 3
- risk_code
- 10-65
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
UsesCIR ingredient: Isododecane
Household ProductsInformation on 36 consumer products that contain Isododecane in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent; Emollient
General Manufacturing InformationIsododecane: ACTIVE
応用分野
使用Isododecane is an excellent solvent and can be used in a variety of cosmetic and personal care ingredients. It has a weightless feel and enhance spreadability of products. It is use as an ingredient in the manufacture of personal care products, including cosmetics (mascara, eyeliner and lip products), make-up removers, face creams, pre- and aftershaves, sun care products, deodorant sprays and hair care products.
補足説明
定義本品は、炭素数12の分岐脂肪族炭化水素である。
関連反応
23 件
化合物ノート
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