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Sorbitanoleat

Sorbitan mono-(9Z)-9-octadecenoate

HCID 9920342
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Grundinformationen

CAS
1338-43-8
Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
InChIKey
NWGKJDSIEKMTRX-AAZCQSIUSA-N
Summenformel
C24H44O6
Durchschnittliche Molmasse
428,6 g/mol
Monoisotopische Masse
428,31378912

Überblick

Sorbitan monooleate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Sorbitan mono-(9Z)-9-octadecenoate
IUPAC
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Lokaler Name
Sorbitanoleat
Englischer Name
Span 80
Summenformel
C24H44O6
Molmasse
428.6

Namen und Synonyme

Sorbitan monooleateArlacel 801338-43-8SORBITAN OLEATESorbitan, mono-(9Z)-9-octadecenoateOleate de sorbitanAnhydrosorbitol monooleateSorbitan mono-oletaeSorbitani oleasGlycomul OSorbitan OSorbitan, mono-9-octadecenoate
Weitere Namen anzeigen
armotanmoSPAN(R) 80ionets80sorgen40sorbons80glycomuloemsorb2500EmulsifierS80
DTXSID6027397Alkamuls SMOArmotan MODehymuls SMOLonzest SMOKosteran O 1Oleato de sorbitanoCrill 4

Datenbank-Bezeichner

CAS
1338-43-8、9015-08-1
PubChem CID
9920342
DTXSID
DTXSID6027397
ChEMBL
CHEMBL1894187

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6
Polarare Oberfläche (TPSA)
96,2 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
19
Schwere Atome
30
Formalladung
0
Komplexität
453

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Emulsifiers/Surfactants
Cosmetics · 2 Einträge

Cosmetic ingredients (Sorbitan Oleate) -> CIR (Cosmetic Ingredient Review)

Emulsifying

FragrancesFragrance Ingredient (Sorbitan monooleate) -> IFRA transparency List
Food AdditivesEMULSIFIER OR EMULSIFIER SALT -> FDA Substance added to food
ViscosityABOUT 1000 CENTIPOISES
Color/FormAMBER LIQUID
SolubilitySOL IN MOST MINERAL & VEGETABLE OILS; INSOL IN ACETONE; SLIGHTLY SOL IN ETHER; DISPERSIBLE IN WATER
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 99.8% (1221 of 1224) of all reports.

Not Classified

Aggregated GHS information provided per 1224 reports by companies from 5 notifications to the ECHA C&L Inventory.

Not Classified

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Sorbitan, mono-(9Z)-9-octadecenoate

Regulation (EC) No 1333/2008 (amended)

Sorbitan, mono-(9Z)-9-octadecenoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sorbitan, mono-(9Z)-9-octadecenoate 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)

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

Other Safety InformationIMAP assessments - Sorbitan, mono-9-octadecenoate, (Z)-: Human health tier I assessment
Hazards SummaryMay cause irritation; May be harmful if swallowed; [MSDSonline]
Special Reports · 1 Eintrag

A PROPOSED MONOGRAPH FOR SORBITAN 80 (SORBITAN MONOOLEATE) IS PRESENTED. THE CHARACTERISTICS, METHODS OF IDENTIFICATION, SAPONIFICATION & IODINE VALUES, DENSITY, ASSAY, SOLUBILITY & LD50 ARE GIVEN.[CESCHEL GC ET AL; PROPOSALS FOR THE PHARMACOPEIA; SORBITANS; BOLL CHIM FARM 120(SEP) 552 (1981)]

EPA Safer ChemicalChemical: Sorbitan monooleate
Hazard Classes and Categories · 2 Einträge

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Absorption, Distribution and ExcretionWHEN DIGESTED, BOTH THE FATTY ACID & THE POLYHYDRIC ALCOHOL SORBITAN ARE ABSORBED, BUT THE LATTER IS COMPLETELY EXCRETED IN URINE. /SORBITAN MONOSTEARATE/

Verwendung und Herstellung

Uses · 4 Einträge

CIR ingredient: Sorbitan Oleate

A non-ionic surface active agent; Used as emulsifier, stabilizer, and thickener (foods, cosmetics, and medicines), lubricant and softener in textiles, and surfactant for pharmaceuticals; [Merck Index] Used as emulsifier for water-in-oil emulsions; [HSDB] Used for synthesis in chemical industry, refining and processing metals, and in paints, lacquers, and varnishes industry; [IUCLID]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

NONIONIC SURFACTANTS USED AS EMULSIFYING AGENTS IN THE PREPARATION OF WATER-IN-OIL EMULSIONS /SORBITAN ESTERS/

U.S. Production2023: 55,000,000 - <70,000,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesDemulsifier
Methods of ManufacturingWATER-INSOLUBLE NONIONIC SURFACTANTS MADE BY ESTERIFYING WITH DIGESTIBLE FATTY ACIDS VARIOUS PARTIAL ANHYDRIDES OF SORBITOL. /SORBITAN MONOSTEARATE/
Household Products · 2 Einträge

Information on 120 consumer products that contain Sorbitan oleate (emulsifier) in the following categories is provided:

Zugehörige Reaktionen

6
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 371780
HRID 371780als Eduktuspto-grants-1978_05
Reaktionsgleichung von HRID 653553
HRID 653553als Produktuspto-grants-1987_06
Reaktionsgleichung von HRID 1066707
HRID 1066707als Eduktuspto-grants-2001_06
Reaktionsgleichung von HRID 1732834
HRID 1732834als Eduktuspto-grants-1980_12
Reaktionsgleichung von HRID 1856417
HRID 1856417als Eduktuspto-grants-1980_08
Reaktionsgleichung von HRID 1980157
HRID 1980157als Eduktuspto-grants-1984_11

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
ChEBI
CHEBI:183688
UNII
06XEA2VD56
EC Number
215-665-4、618-490-5
Nikkaji
J2.897.208C
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 Einträge

CBI; Liquid; Liquid; Other Solid

Yellow to amber liquid; [Merck Index] Clear deep brownish-yellow viscous liquid; [MSDSonline]

Collision Cross Section207.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6027397]

Physikochemische Eigenschaften

Siedepunkt
463.43 °C · 463.43°C (rough estimate)
Dichte
0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
Dampfdruck
1.4 hPa · <1.4 hPa (20 °C)
Brechungsindex
20 · n20/D 1.48(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
Practically insoluble but dispersible in water, soluble in fatty oils producing a hazy solution, miscible with alcohol.
Aggregatzustand
Viscous Liquid
Wichte
0.986 · 0.986
Farbe
Yellow
Geruch (Odor)
100 % · at 100.00 %. fatty oily waxy
Geruchsart
fatty
Wasserlöslichkeit
50 mg/mlMiscible · Soluble in ethanol at 50mg/mlMiscible with water, ethanol, isopropanol and ether. Insoluble in acetone.
Merck
13 · 13,8796
BRN
8172514 · 8172514
Stabilität
Stable. Combustible. Incompatible with strong oxidizing agents.
Major Application
microbiology
Kosmetik-Inhaltsstoffe Funktionen
SURFACTANT - EMULSIFYING
InChIKey
MPZLHRXPRGLWEB-AAZCQSIUSA-N
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
LogP
6.014 · 6.014 (est)
CAS Datenbank
1338 · 1338-43-8(CAS DataBase Reference)
EPA chemische Informationen
Sorbitan monooleate (1338-43-8)

Not Classified

Not Classified

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
Human Toxicity Excerpts · 2 Einträge

...MAN HAS BEEN FED WITH IMPUNITY SINGLE DOSES OF 20 G OR DAILY DOSES OF 6 G FOR 1 MONTH. /SORBITAN MONOSTEARATE/

A MIDDLE AGED MALE DEVELOPED OCCUPATIONALLY RELATED CONTACT ECZEMA TO SORBITAN MONOOLEATE.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity Excerpts · 2 Einträge

NO SINGLE ORAL DOSE IS KNOWN TO BE LETHAL IN LABORATORY ANIMALS... /SORBITAN MONOSTEARATE/

GROUPS OF 15 MALE & 15 FEMALE RATS WERE MAINTAINED ON A DIET CONTAINING 0, 2.5, 5 OR 10% SPAN 80 FOR 16 WK WHICH RESULTED IN SIGNIFICANTLY INCR KIDNEY WT, ASSOC IN THE FEMALE GROUPS GIVEN 5 OR 10% WITH TUBULAR CHANGES OF UNCERTAIN PATHOLOGICAL SIGNIFICANCE. LIVER ENLARGEMENT WAS FOUND IN THE MALES & FEMALES ON THE HIGHEST DIETARY LEVEL. IN THE FEMALES THIS EFFECT WAS ASSOC WITH PERIPORTAL FATTY CHANGE. REDUCED WT GAIN WAS OBSERVED IN GROUPS GIVEN 5 OR 10%, BUT THIS WAS DUE LARGELY TO THE UNPALATABILITY OF THE DIET.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
34021300
RTECS-Nr.
WG2932400
Toxizität
LD50 orally in Rabbit: > 39800 mg/kg
safety_code
24/25
Speicherklasse
10 - Combustible liquids
Giftige Stoffe Daten
1338-43-8(Hazardous Substances Data)

Information on 2 consumer products that contain Sorbitan monooleate in the following categories is provided:

Use Classification · 5 Einträge

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Fragrance Ingredients

Food Additives -> EMULSIFIER; STABILIZER -> JECFA Functional Classes

Cosmetics -> Emulsifying

General Manufacturing Information · 4 Einträge

Paint and Coating Manufacturing

Sorbitan, mono-(9Z)-9-octadecenoate: ACTIVE

HYDROPHILIC CHARACTER /OF SPAN/ IS SUPPLIED BY FREE HYDROXYL & OXYETHYLENE GROUPS...LIPOPHIL PORTION IS FOUND IN THE LONG CHAIN FATTY ACIDS USED. THE SPAN TYPE MATERIALS ARE PARTIAL ESTERS OF COMMON FATTY ACIDS (LAURIC, PALMITIC, STEARIC & OLEIC) & HEXITOL ANHYDRIDES (LEXITANS & HEXIDES) DERIVED FROM SORBITOL. /SPAN/

ADDED IN SMALL QUANTITIES TO MANY FOODS, BEVERAGES, COSMETICS /SORBITAN MONOSTEARATE/

Anwendungen · 2 Einträge

BeschreibungSpan 80, also known as sorbitan monooleate, is a nonionic surfactant and emulsifier. It belongs to the family of sorbitan esters. This ingredient is produced by esterifying sorbitan with oleic acid, a fatty acid in many vegetable oils. Span 80 emulsifier presents as a light yellow, viscous, oily liquid. Its solubility characteristics include insolubility in water and solubility in organic solvents. Span 80 is an emulsifier, stabilizer, and dispersant used in the food, pharmaceutical, and cosmetics industries.

VerwendenSpan 80 is a low HLB surfactant suggested for use as a w/o emulsifier or as an o/w emulsifier for use in cosmetic formulations, oil field chemicals, plastics, household products, coatings and textiles.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Stainless steel reactorStickstoffEthylenoxidSorbitanstearatKaliumhydroxidSorbitanle, Pflanzen-RizinusoelD-GlucitolOleic acidActivated carbon,decolorle, Palm-