2-Methylundecane (HCID 23459)

Namen und Bezeichner

Bevorzugter Name: 2-Methylundecane
IUPAC: 2-methylundecane
Lokaler Name: Isododecan
Englischer Name: Isododecane
Summenformel: C12H26
Molmasse: 170.33

Namen und Synonyme

2-Methylundecane7045-71-8Undecane, 2-methyl-H40FL8477BEINECS 230-323-4DTXSID50873241Undecane, 2methylRefChem:476305DTXCID5021590230-323-4ISODODECANE31807-55-3

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 8
Schwere Atome: 12
Formalladung: 0
Komplexität: 74

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 3 Einträge

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

Physikochemische Eigenschaften

Siedepunkt: 170 · 170-195°C
Dichte: 0.74 · 0.74
Brechungsindex: 1.421 · 1.4210
Flammpunkt: 170 · 170-195°C
Aggregatzustand: Liquid
Wasserlöslichkeit: Immiscible with water.
Henry's Law Constant: 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Kosmetik-Inhaltsstoffe Funktionen: SOLVENTPERFUMINGSKIN CONDITIONING - EMOLLIENT
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 Datenbank: 31807 · 31807-55-3
EPA chemische Informationen: Isododecane (31807-55-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 Einträge

Asp. Tox. 1 (100%)

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

Toxikologische Informationen

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

Regulatorische Informationen

Regulatory Information · 3 Einträge

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.

Sicherheitsdaten

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
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Asp. Tox. 1Flam. Liq. 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

UsesCIR ingredient: Isododecane

Household ProductsInformation on 36 consumer products that contain Isododecane in the following categories is provided:；• Personal Care

Use Classification · 2 Einträge

Fragrance Ingredients

Cosmetics -> Solvent; Emollient

General Manufacturing InformationIsododecane: ACTIVE

Anwendungen · 1 Eintrag

VerwendenIsododecane 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.