Isooctadecan-1-ol

Isostearyl Alcohol EX

HCID 62825CAS 27458-93-1

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Grundinformationen

Standard-SMILES: CC(C)CCCCCCCCCCCCCCCO
InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N
Summenformel: C18H38O
Durchschnittliche Molmasse: 270,5 g/mol
Monoisotopische Masse: 270,29226584

Überblick

16-methylheptadecan-1-ol is a long-chain primary fatty alcohol that is heptadecan-1-ol substituted by a hydroxy group at position 1 and a methyl group at position 16. It is functionally related to a heptadecan-1-ol. It derives from a hydride of a heptadecane.

Namen und Bezeichner

Bevorzugter Name: Isostearyl Alcohol EX
IUPAC: 16-methylheptadecan-1-ol
Lokaler Name: Isooctadecan-1-ol
Englischer Name: Isostearyl alcohol
Summenformel: C18H38O
Molmasse: 270.49

Namen und Synonyme

16-Methylheptadecan-1-ol41744-75-616-methylheptadecanol1-Heptadecanol, 16-methyl-W29XHH208CIsostearyl Alcohol EXCHEBI:84911RefChem:1087832255-529-1Isostearyl alcoholIsooctadecanol27458-93-1

Weitere Namen anzeigen

Pro-xylaneisostearylAldo 66Fine oxocolJARCOL 1-18TJARCOL I-18TJARCOL I-18EXJARCOL 1-18CGOCTYL DECANOL

isostearylalcoholIsooctadecyl alcohol16-METHYL-1-HEPTADECANOLIsostearyl alcohol [USAN]Isostearyl alcohol (USAN)Isooctadecan-1-olEINECS 248-470-8UNII-Q613OCQ44Y

Datenbank-Bezeichner

CAS: 27458-93-1、41744-75-6
PubChem CID: 62825
DTXSID: DTXSID80892268
ChEMBL: CHEMBL2107291
ChEBI: CHEBI:84911
UNII: W29XHH208C
EC Number: 248-470-8、255-529-1
Nikkaji: J278.263D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 15
Schwere Atome: 19
Formalladung: 0
Komplexität: 154

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

Cosmetics · 2 Einträge

Cosmetic ingredients (Isostearyl Alcohol) -> CIR (Cosmetic Ingredient Review)

Emollient; Skin conditioning; Viscosity controlling

FragrancesFragrance Ingredient (Isooctadecan-1-ol) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 343 ℃[at · 343℃[at 101 325 Pa]
Brechungsindex: 20 · n20/D 1.451
pka: 15.8 · 15.8[at 20 ℃]
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGVISCOSITY CONTROLLING
InChI: InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N
SMILES: C(CCCCC(C)C)CCCCCCCCCCO
LogP: 7.815 · 7.815 (est)
EPA chemische Informationen: Isooctadecanol (27458-93-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 80.3% (1452 of 1809) of all reports.

Warning

H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1809 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Isooctadecanol

Chemical: 1-Heptadecanol, 16-methyl-

Isooctadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isooctadecanol 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)

Status: Active Update: 30-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5497

Isooctadecanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummarySee 1-Dodecanol and 1-Docosanol.

Hazard Classes and CategoriesSkin Irrit. 2 (10.9%)

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

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
risk_code: 36/37/38-38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Isostearyl Alcohol

U.S. Production2023: <75,000 lb

Consumer UsesLubricating agent

Industry UsesLubricating agent

Household ProductsInformation on 9 consumer products that contain Isostearyl alcohol in the following categories is provided:

Use Classification · 2 Einträge

Fragrance Ingredients

Cosmetics -> Emollient; Skin conditioning; Viscosity controlling

Anwendungen

Verwendenisostearyl alcohol is an emollient and viscosity builder derived from isostearic acid. It gives the skin a silky feel after product application.