delta-Gluconolactone

HCID 7027CAS 54910-68-8

Grundinformationen

Standard-SMILES
O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
PHOQVHQSTUBQQK-SQOUGZDYSA-N
Summenformel
C6H10O6
Durchschnittliche Molmasse
178,14 g/mol
Monoisotopische Masse
178,04773804

Überblick

D-glucono-1,5-lactone is an aldono-1,5-lactone obtained from D-gluconic acid. It has a role as an animal metabolite and a mouse metabolite. It is a gluconolactone and an aldono-1,5-lactone. It is functionally related to a D-gluconic acid.

Namen und Bezeichner

Bevorzugter Name
delta-Gluconolactone
IUPAC
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

Namen und Synonyme

gluconolactone90-80-2delta-gluconolactoneD-glucono-1,5-lactoneGluconic acid lactone(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-oneD-Gluconic acid lactoneD-Gluconic acid delta-lactone1,5-D-GluconolactoneGluconic lactone(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-oneGluconic delta-lactone
Weitere Namen anzeigen
delta-D-GluconolactoneGlucono delta lactoneDeltagluconolactoneFujigluconLysactoneRiken lactoneGluconolactone [USP]DTXSID0026549

Datenbank-Bezeichner

CAS
54910-68-8、90-80-2
PubChem CID
7027
DTXSID
DTXSID0026549
ChEMBL
CHEMBL1200829
ChEBI
CHEBI:16217
UNII
WQ29KQ9POT
EC Number
202-016-5
Nikkaji
J1.174F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2
Polarare Oberfläche (TPSA)
107 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Food Additives
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 3 Einträge

Cosmetic ingredients (Glucarolactone) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (Gluconolactone) -> CIR (Cosmetic Ingredient Review)

Skin conditioning; Solvent; Humectant

pHFreshly prepared aqueous solution has pH of 3.6, changing to 2.5 within 2 hours
SpringerMaterials PropertiesCrystal structure
TasteSweet taste

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.7% (231 of 234) of all reports.

Not Classified

Aggregated GHS information provided per 234 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: D-Gluconic acid, .delta.-lactone

D-Gluconic acid, .delta.-lactone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Gluconic acid, .delta.-lactone 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: 20-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1952

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

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1 Eintrag

Not irritating or sensitizing; No significant adverse effects observed in sub-chronic or chronic animal studies; No evidence of reproductive or developmental toxicity; [OECD SIDS: Gluconic acid and its derivatives - 2004] Hydrolyzed by water forming gluconic acid; [Merck Index] May cause irritation; [Alfa Aesar MSDS] See Gluconic acid.

EPA Safer ChemicalChemical: Gluconolactone
Hazard Classes and CategoriesNot Classified

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that gluconolactone is expected to have very high mobility in soil(SRC). Volatilization from moist soil surfaces is not expected to be an important environmental fate process given an estimated Henry's law constant of 1.4X10-9 atm cu m/mol(SRC), derived from a structure estimation method(4). Gluconolactone is not expected to volatilize from dry soil surfaces given an estimated vapor pressure of 2.8X10-9 mm Hg(SRC), determined from a fragment constant method(5). A screening study indicates that gluconolactone may be susceptible to biodegradation under aerobic conditions(6), and under anaerobic conditions the yeast Saccharomyces bulderi rapidly ferments gluconolactone to ethanol and carbon dioxide(7), suggesting that biodegradation may occur in soil(SRC). Hydrolysis of gluconolactone to gluconic acid should occur rapidly in moist soils given a hydrolysis half-life of about 10 minutes at pH 6.6 and 60 minutes at pH 4(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that gluconolactone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected to be an important environmental fate process(3), based upon an estimated Henry's law constant of 1.4X10-9 atm cu m/mol(SRC), derived from a structure estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of -1.98(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Limited data suggest that biodegradation may occur in aquatic environments(8,9); however, hydrolysis is expected to be the dominant environmental fate process in water(SRC). Hydrolysis of gluconolactone to gluconic acid occurs rapidly, with a half-life of about 10 minutes at pH 6.6 and 60 minutes at pH 4(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), gluconolactone, which has an estimated vapor pressure of 2.8X10-9 mm Hg at 25 °C(2), is expected to exist solely in the particulate-phase in the ambient atmosphere. Particulate-phase gluconolactone is removed from the atmosphere by wet and dry deposition(SRC).

Toxicity Summary · 3 Einträge

Additionally, the Panel concluded the available data are insufficient to make a determination that Glucarolactone is safe under the intended conditions of use in cosmetic formulations.

The available data are insufficient to support safety

Safe 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

Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for gluconolactone can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that gluconolactone is expected to have very high mobility in soil(SRC).

Natural Pollution Sources · 1 Eintrag

Biological oxidation of glucose at the C1 position by dehydrogenases or oxidases yields gluconolactone(1). Incomplete oxidation of sugars in fruits and nectar by bacteria and fungi may lead to acidification and the accumulation of gluconolactone(1).

Human Toxicity Excerpts · 1 Eintrag

/HUMAN EXPOSURE STUDIES/ ...We have performed a double-blind clinical trial on 150 patients to evaluate the efficacy and skin tolerance of the alpha hydroxy acid gluconolactone 14% in solution (Nuvoderm lotion) in the treatment of mild to moderate acne when compared with its vehicle (placebo) and 5% benzoyl peroxide lotion. The results of this study showed that both gluconolactone and benzoyl peroxide had a significant effect in improving patients' acne by reducing the number of lesions (inflamed and non-inflamed). Furthermore, fewer side-effects were experienced by patients treated with gluconolactone when compared with benzoyl peroxide

Artificial Pollution Sources · 1 Eintrag

Gluconolactone's production and use in cleaning compounds, dairy industry to prevent milkstone, in breweries to prevent beerstone, as a coagulant for tofu and as a latent acid catalyst(1), may result in its release to the environment through various waste streams(SRC). Gluconolactone is allowed for use in human food as a curing and pickling agent, a leavening agent, a pH control agent, and a sequestrant(2), and in some cosmetics to act as a sunscreen(3).

Chemie und Industrie

Pharmakologische Informationen

FDA Pharmacological Classification · 5 Einträge

WQ29KQ9POT

GLUCONOLACTONE

Established Pharmacologic Class [EPC] - Calculi Dissolution Agent

Mechanisms of Action [MoA] - Irrigation

Gluconolactone is a Calculi Dissolution Agent. The mechanism of action of gluconolactone is as an Irrigation.

Cellular LocationsCytoplasm
Metabolite PathwaysGlucose-6-phosphate dehydrogenase deficiency

Verwendung und Herstellung

Uses · 6 Einträge

CIR ingredient: Glucarolactone

CIR ingredient: Gluconolactone

Used in cleaning compounds, the dairy and brewery industries, textile printing, and tofu production (coagulant); [Merck Index] Used as a curing or pickling agent, flavoring agent, formulation aid, leavening agent, pH control agent, and sequestrant for foods; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Important intermediate in carbohydrate metabolism in mammals; Used for industrial cleaning, metal surface treatment, textile bleach stabilizing, aluminum processing, and as a chelating agent in cement set retarding, cleaning products, personal care products, pharmaceuticals, and foods; [OECD SIDS: Gluconic acid and its derivatives - 2004]

Aluminum Producing [Category: Industry]

Component of many cleaning compounds because of the sequestering ability of the gluconate radical which remains active in alkaline solutions; in the dairy industry to prevent milkstone; in breweries to prevent beerstone; as latent acid catalyst for acid colloid resins, particularly in textile printing; as a coagulant for tofu.

Sequestering agent

U.S. Production · 6 Einträge

2023: 3,750,236 lb

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1986) >1 million - 10 million pounds

(1990) >1 million - 10 million pounds

(1994) >1 million - 10 million pounds

(2002) 10 thousand - 500 thousand pounds

Consumer UsesProcessing aids not otherwise specified
Industry UsesProcessing aids not otherwise specified
Methods of Manufacturing · 2 Einträge

By oxidation of glucose with bromine water ... by oxidation of glucose in Acetobacter suboxydans

Glucono-1,5-lactone crystallizes from a supersaturated aqueous gluconic acid solution between 36 and 57 °C. A two-step continuous crystallization is said to result in increased productivity per unit volume under conditions that are favorable in terms of energy consumption. In the first step, a crystalline suspension (3 to 10 % crystalline material) is produced in a supersaturated gluconic acid solution held at 65 to 75 °C. The second step involves controlled cooling to 40 to 45 °C, followed by a period of crystal maturation at constant temperature. A portion of the resulting crystalline suspension is then recycled to the first step. ... The 1,5-lactone may also be obtained from an aqueous gluconic acid solution by dehydration involving azeotropic distillation with alcohols, followed by crystallization from the alcohol-containing residue. Crystallization above 70 °C leads to the 1,4-lactone.

Household ProductsInformation on 41 consumer products that contain Gluconolactone in the following categories is provided:

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