2-Hexyldecan-1-ol

2-Hexyl-1-decanol

HCID 95337CAS 2425-77-6

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Grundinformationen

Standard-SMILES: CCCCCCCCC(CO)CCCCCC
InChIKey: XULHFMYCBKQGEE-UHFFFAOYSA-N
Summenformel: C16H34O
Durchschnittliche Molmasse: 242,44 g/mol
Monoisotopische Masse: 242,26096571

Überblick

2-hexyl-1-Decanol is an aliphatic alcohol.

Namen und Bezeichner

Bevorzugter Name: 2-Hexyl-1-decanol
IUPAC: 2-hexyldecan-1-ol
Lokaler Name: 2-Hexyldecan-1-ol
Englischer Name: 2-Hexyl-1-decanol
Summenformel: C16H34O
Molmasse: 242.44

Namen und Synonyme

2-Hexyl-1-decanol2425-77-6Hexyldecanol1-Decanol, 2-hexyl-Guerbitol 16Rilanit G 16Isofol 16DTXSID1041265NJCOL 160151Z7P1317NSC-2399DTXCID9021265

Weitere Namen anzeigen

2-Hexyl-decan-1-ol2-hexyl-1-decanoEA4892-HexyLC610-OHNSC 2399-1-decanoLGuerbet C16

isopalmityl alcoholRefChem:472905STANDAMUL GT 16DTXCID70254614219-370-1DTXSID003034822-Hexyldecan-1-ol2-Hexyldecanol

Datenbank-Bezeichner

CAS: 2425-77-6
PubChem CID: 95337
DTXSID: DTXSID1041265
ChEMBL: CHEMBL3560208
ChEBI: CHEBI:183266
UNII: 151Z7P1317
EC Number: 219-370-1
Nikkaji: J216.071D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 13
Schwere Atome: 17
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

CosmeticsSkin conditioning; Humectant; Solvent

FragrancesFragrance Ingredient (1-_Decanol, 2-_hexyl-) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

Physical Description · 2 Einträge

Liquid

Colorless oily liquid with a mild sweet odor; [Sasol MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -21 · -21--15 °C (lit.)
Siedepunkt: 193 · 193-197 °C/33 mmHg (lit.)
Dichte: 0.836 g/mL · 0.836 g/mL at 25 °C (lit.)
Dampfdruck: 0.4 Pa · 0.4Pa at 148.85℃
Brechungsindex: 20 · n20/D 1.449(lit.)
Flammpunkt: 113 °C · 113 °C
storage temp.: Refrigerator
Löslichkeit: Benzene (Sparingly), Chloroform (Sparingly), Methanol (Slightly)
pka: 15.08 · 15.08±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Clear Colourless
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
InChI: 1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKey: XULHFMYCBKQGEE-UHFFFAOYSA-N
SMILES: CCCCCCCCC(CO)CCCCCC
LogP: 6.66 at · 6.66 at 20℃
NIST chemische Informationen: 1 · 1-Decanol, 2-hexyl-(2425-77-6)
EPA chemische Informationen: 1 · 1-Decanol, 2-hexyl- (2425-77-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.4% (351 of 353) of all reports.

Not Classified

Aggregated GHS information provided per 353 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 1-Decanol, 2-hexyl-

1-Decanol, 2-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol, 2-hexyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 08-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5585

1-Decanol, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye, nose, and throat irritant; Inhalation may cause dizziness and headache; [Sasol MSDS]

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: nwg
tsca: TSCA listed
hs_code: 2905.19.9090
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]

U.S. Production2023: 5,000,000 - <10,000,000 lb

Consumer UsesLubricating agent

Industry UsesNot Known or Reasonably Ascertainable

Household ProductsInformation on 2 consumer products that contain Hexyldecanol in the following categories is provided:

Use Classification · 2 Einträge

Fragrance Ingredients

Cosmetics -> Skin conditioning; Humectant; Solvent

Anwendungen

Verwenden2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).