delta-Gluconolactone

식별자 및 물리적 특성

CAS No.	54910-68-8
분자식	C6H10O6
평균 분자량	178.14 g/mol
단동위원소 질량	178.04773804 g/mol
SMILES	O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey	PHOQVHQSTUBQQK-SQOUGZDYSA-N
PubChem CID	7027
ChEMBL	CHEMBL1200829
ChEBI	CHEBI:16217
EC No.	202-016-5
DTXSID	DTXSID0026549

화학 및 물리적 성질

XLogP	-2
극성 표면적	107
수소 결합 공여자 수	4
수소 결합 수용자 수	6
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	181
물질 분류	Other Uses -> Food Additives
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	Cosmetic ingredients (Glucarolactone) -> CIR (Cosmetic Ingredient Review)Cosmetic ingredients (Gluconolactone) -> CIR (Cosmetic Ingredient Review)Skin conditioningSolventHumectant
pH	Freshly prepared aqueous solution has pH of 3.6, changing to 2.5 within 2 hours
SpringerMaterials Properties	Crystal structure
맛	Sweet taste
식품 첨가물	CURING OR PICKLING AGENT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, FORMULATION AID, LEAVENING AGENT, PH CONTROL AGENT, SEQUESTRANT -> FDA Substance added to food
밀도	1.610 g/cu cm at -5 °C
Color/Form	White crystals
용해도	Freely soluble in water. Sparingly soluble in ethanol1 gram in 100 grams alcoholinsoluble in ether and acetone.In water, 5.9X10+5 mg/L at 25 °C590.0 mg/mL
Human Drugs	FDA approved drugs -> Active ingredient
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate List

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 98.7% (231 of 234) of all reports.Not ClassifiedAggregated GHS information provided per 234 reports by companies from 4 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: D-Gluconic acid, .delta.-lactoneD-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/1952Gluconolactone: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
유해성 요약	Not irritating or sensitizingNo significant adverse effects observed in sub-chronic or chronic animal studiesNo 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 Chemical	Chemical: Gluconolactone
Hazard Classes and Categories	Not Classified
처리 방법	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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
환경 거동	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).