2-Methylundecane (HCID 23459)

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)

MFCD000361062-Methylhendecaneisodo-decaneUNII-H40FL8477BEINECS 250-816-82-METHYL UNDECANESCHEMBL36787SCHEMBL56464

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

XLogP: 6.4
極性表面積: 0 Å²
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

実験および物理化学的性質

Kovats Retention Index · 3 件

1170；1164；1165.25；1165.39；1165.41；1165；1165；1167；1163；1164；1166；1166；1167；1164；1162；1166；1165.5；1166；1149.4；1166

1163；1164；1165.1；1163；1164.4；1164.52；1164.69；1164；1213；1164；1162；1168；1164；1166；1164；1167；1165；1162

1155

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
SMILES: C(CCC(C)C)CCCCCC
LogP: 6.665 · 6.665 (est)
CAS データベース: 31807 · 31807-55-3
EPAの化学物質情報: Isododecane (31807-55-3)

化学的性質 · 1 件

化学的特性Isododecane is a clear, colorless, volatile, and odorless liquid. It provides a light, non-oily feel with little residue and excellent solvency. With a viscosity of approximately 1 centipoise, it can be used in applications which include: hair care, sun care, antiperspirants, color cosmetics, mascaras and fragrance products. Isododecane, mixture of isomer acts as a reaction medium used for polymerization reactions. It is also useful as an emollient and solvent in skin care products due to its high spreadability, low viscosity and density. It is commonly used in anti-aging serums and also useful in many different cosmetic items like eyeliner, hair care, hair sprays, perfume, conditioners and lotions.

安全と法規制

GHS分類

GHS Classification · 6 件

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]；H304 (99.3%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

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.；Reported as not meeting GHS hazard criteria per 2 of 1796 reports by companies.；There are 12 notifications provided by 1794 of 1796 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 · 3 件

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 · 2 件

Asp. Tox. 1 (100%)

Flam. Liq. 3 (22.9%)；Asp. Tox. 1 (99.3%)

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

法規制情報

Regulatory Information · 3 件

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.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2286 3/PG 3
risk_code: 10-65
hazard_code: Xn
safety_code: 62
hazard_class: 3
packing_group: III
Hazard Classifications: Asp. Tox. 1Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

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:；• Personal Care

Use Classification · 2 件

Fragrance Ingredients

Cosmetics -> Solvent; Emollient

General Manufacturing InformationIsododecane: ACTIVE

応用分野 · 1 件

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.