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Sucrose

HCID 178956949
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
41055-68-9
Standard SMILES
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIKey
CZMRCDWAGMRECN-UGDNZRGBSA-N
Molecular formula
C12H22O11
Average molar mass
342.3 g/mol

Overview

Sucrose appears as white odorless crystalline or powdery solid. Denser than water.

Names & identifiers

Preferred name
Sucrose
IUPAC
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
English name
beta-D-[ul-13C6]Fructofuranosyl alpha-D-[ul-13C6]glucopyranoside
Molecular formula
C12H22O11
Molecular weight
342.3

Names & synonyms

sucrose57-50-1saccharosesugarTable sugarCane sugarWhite sugarSaccharumMicroseRock candyAmerfandConfectioner's sugar
Show more names
D-SUCROSE-13C12[UL-13C12]SUCROSE[UL-13C??]SucroseD-Sucrose (13C??, 98%)SUCROSE-13C12 99 ATOM% 13Cbeta-D-[ul-13C6]Fructofuranosyl alpha-D-[ul-13C6]glucopyranoside
SucraloxumAmerfondbeta-D-Fructofuranosyl-alpha-D-glucopyranosidebeta-D-Fructofuranosyl alpha-D-glucopyranosideDTXSID2021288alpha-D-Glucopyranosyl beta-D-fructofuranosideNCI-C56597(+)-Sucrose

Database identifiers

CAS
41055-68-9
ChEMBL
CHEMBL253582
ChEBI
CHEBI:17992
UNII
C151H8M554
EC Number
200-334-9、618-806-1
Nikkaji
J4.581K

Properties

Computed structural properties

XLogP
-3.7
Topological polar surface area
190 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
395

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Disaccharides
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 2 items

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

Soothing; Humectant; Skin conditioning

pHSoln are neutral to litmus
SpringerMaterials PropertiesChemical diffusion
Pesticides · 2 items

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

LogP · 4 items

log Kow = -3.70

-3.70

-3.67

-2.7

Odor · 2 items

Characteristic caramel

... Odorless ... [Note: May have a characteristic caramel odor when heated].

TasteSweet

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 95.7% (423 of 442) of all reports.

Not Classified

Aggregated GHS information provided per 442 reports by companies from 8 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl

.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl 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)

Reg. (EU) No 916/2014

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

Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl: Human health tier I assessment
Fire Hazards · 2 items

Special Hazards of Combustion Products: Irritating fumes may form in fires.

Combustible. Finely dispersed particles form explosive mixtures in air.

Health HazardsNone (USCG, 1999)
Hazards SummaryMay cause mechanical irritation.; [ICSC]
FDA RequirementsSubstance added directly to human food affirmed as generally recognized as safe (GRAS).
Reactive GroupAlcohols and Polyols

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed)
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
Metabolite PathwaysGalactose Metabolism

Uses & manufacturing

Uses · 6 items

CIR ingredient: Sucrose

Obtained from cane sugar, sugar beet, and sorghum; Used as a sweetener; [ChemIDplus]

For Sucrose (USEPA/OPP Pesticide Code: 000023) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

FLAVOR BLENDER, ACCENTUATOR, MODIFIER & DISPERSING AGENT, SWEETENING, TEXTURE & BODYING AGENT FOR FOODS & BEVERAGES; RAW MATERIAL FOR NUMEROUS ORG CHEM & YEAST PRODN; LUBRICANT IN FOODS

Sweetener in foods and soft drinks, manufacture of syrups, source of invert sugar, confectionary, preserves and jams, demulcent, pharmaceutical products, caramel, chemical intermediate for detergents, emulsifying agents, and other sucrose derivatives.

Sweetening agent and food. Starting material in fermentative prodn of ethanol, butanol, glycerol, citric and levulinic acids. Used in pharmaceuticals as a flavor, as a preservative, as antioxidant (in form of invert sugar), as demulcent, as substitute for glycerol, as granulation agent and excipient for tablets, as coating for tablets. In plastics and cellulose industry, in rigid polyurethane foams, manuf of ink and of transparent soaps.

U.S. Exports · 3 items

(1972) 7.06X10+8 G (CANE/BEET, RAW & REFINED)

(1975) 1.87X10+11 G

(1984) 2.79X10+10 g /Sugar cane, beet, crystalline structure or dry amorphous form, refined/

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Food Additives
NUTRITIVE SWEETENER -> FDA Substance added to food
Density · 5 items

1.59 at 68 °F (USCG, 1999) - Denser than water; will sink

1.5805 g/cu cm @ 17 °C

1.6 g/cm³

1.59

1.59

Color/Form · 2 items

Monoclinic sphenoidal crystals, crystalline masses, blocks, or powder

Hard, white ... crystals, lumps, or powder ...

Physicochemical properties

Melting point
185 · 185-187 °C(lit.)
CAS Number Unlabeled
57 · 57-50-1
WGK Germany
3 · 3
Special ReportsINFORMATICS INC; SCIENTIFIC LITERATURE REVIEWS ON GENERALLY RECOGNIZED AS SAFE (GRAS) FOOD INGREDIENTS: SUCROSE; US NTIS PB REPORT PB-228 548, 202 PP. (1973). LITERATURE REVIEW OF SUCROSE AND ITS USE IN FOOD PRODUCTS.
EPA Safer ChemicalChemical: Sucrose
FIFRA Requirements · 2 items

Residues of sucrose are exempted from the requirement of a tolerance when used as a solid diluent, carrier or safener in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Sucrose is exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

OSHA Standards · 2 items

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 15 mg/cu m. /Total dust/

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 5 mg/cu m. /Respirable fraction/

Reactivity Profile · 1 item

SUCROSE is a reducing agent. Can react explosively with oxidizing agents such as chlorates and perchlorates. Is hydrolyzed by dilute acids and by invertase (a yeast enzyme) (NTP, 1992). Chars rapidly and exothermically when mixed with concentrated sulfuric acid.

Safety & protection

Fire Fighting · 2 items

Fire Extinguishing Agents: Water (USCG, 1999)

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 3 items

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

First Aid · 2 items

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

(General first aid procedures)

Safe StorageSeparated from strong oxidants.
Firefighting HazardsIrritating fumes may form in fires.
Fire Fighting ProceduresWater
Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage DisposalSweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Skin PreventionProtective gloves.

Toxicology

Target OrgansEyes, respiratory system
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, skin and/or eye contact

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
Signs and Symptoms · 4 items

Cough.

Redness. Roughness.

Redness.

irritation eyes, skin, upper respiratory system; cough

Natural Pollution Sources · 3 items

Occurs in low percentages in honey and maple sap

Sugar cane contains from 15-20% and sugar beet from 10-17% sucrose

The quantity of sucrose synthesized by all plants on earth is estimated to be 150X10+9 t/a.

Human Toxicity Excerpts · 2 items

Liquid medicines, particularly those intended for children, often formulated as syrups, usually based on sucrose. Total sugar content may be up to 80% (w/v). Complicated diabetes management. Increased dental caries especially in chronically sick children (eg, asthmatics or epileptics) who frequently take liquid medicine.

Sucrose is reported to be capable of producing dermatoses in bakers, candy makers, and related occupations. It is well established that uncontrolled glucose conc in maternal blood are associated with elevated embryonic and fetal death and increased neonatal morbidity and mortality.

Non-Human Toxicity Excerpts · 5 items

EVIDENCE EXISTS THAT HIGHLY CONCN SOLN ARE LETHAL TO NEMATODES IN SOIL.

DIFFUSE PATHOLOGICAL CHANGES /IN POISONED ANIMALS/ INCL SHRINKAGE, SWELLING & NECROSIS OF RENAL TUBULAR EPITHELIUM, ARTERIOLITIS, MILD HEPATITIS, MYOCARDITIS, CONGESTIVE ENCEPHALITIS & SOME ADRENAL HYPERTROPHY.

SUCROSE HAS SHOWN NO TOXICITY TO CORNEAS OF RABBITS WHEN APPLIED FOR 3 TO 7 HR IN NEUTRAL AQ SOLN...

...CANE SUGAR...OBSERVED TO CAUSE DIARRHEA, COLIC, INFLAMMATION OF KIDNEYS &...PETECHIAL HEMORRHAGES IN SPINAL DURA MATER OF HORSES.

For more Non-Human Toxicity Excerpts (Complete) data for SUCROSE (14 total), please visit the HSDB record page.

Populations at Special RiskPatients with severe malabsorption secondary to disease or resection ... may have deficiency of other disaccharidases and large amounts of sucrose should be avoided /in enteral formulations/.
Evidence for CarcinogenicityA4: Not classifiable as a human carcinogen.
Non-Human Toxicity ValuesLD50 Rat oral 29,700 mg/kg

Regulatory information

FDA RequirementsSubstance added directly to human food affirmed as generally recognized as safe (GRAS).
FIFRA Requirements · 2 items

Residues of sucrose are exempted from the requirement of a tolerance when used as a solid diluent, carrier or safener in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Sucrose is exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

Safety data

wgk
3
U.S. Imports · 3 items

(1972) 4.77X10+12 G (CANE/BEET SUGAR & SYRUP)

(1975) 3.62X10+12 G

(1984) 3.28X10+12 g /Cane or beet sugars, syrups, molasses, NSPF (Raw Value)/

U.S. Production · 3 items

2023: 250,000 - <550,000 lb

(1972) 5.01X10+13 G (CANE & BEET SUGAR)

(1975) 5.19X10+13 G (CANE AND BEET SUGAR)

Consumption Patterns · 1 item

(DELIVERIES OF REFINED SUGAR): 35% WAS CONSUMED DIRECTLY FOR SWEETENING FOODS & BEVERAGES; THE REMAINING 65% WAS USED INDUSTRIALLY IN BEVERAGES (22%); IN BAKERY & CEREAL PRODUCTS (12%); IN CONFECTIONS (9%); IN CANNED, BOTTLED, & FROZEN FOODS (6%); IN ICE CREAM & DAIRY PRODUCTS (5%); IN MISC FOODS (5%); & IN NON-FOOD & UNSPECIFIED USES (6%) (1976)

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesAdhesion/cohesion promoter
Methods of Manufacturing · 3 items

Obtained from sugar cane (Saccharum officinarum L, Gramineae) and sugar beet (Beta valgaris L, Chenopodiaceae). Sugar cane contains from 15-20% and sugar beet form 10-17% sucrose. Structure: Avery et al, J Chem Soc 1927, 2308; Beevers, Cochrane, Proc Roy Soc 190a, 257 (1947).

By crushing and extraction of sugarcane (Saccharum officinarum) with water or extraction of the sugar beet (Beta vulgaris) with water, evaporating, and purifying with lime, carbon, and various liquids. Also obtainable from sorghum by conventional methods.

Sucrose is extracted commercially from sugar maple

Formulations/Preparations · 3 items

USEPA/OPP Pesticide Code 000023; Trade Names: None.

Grade: Reagent, USP, technical, refined.

Also sold as syrup .. liquid sugar

Household ProductsInformation on 74 consumer products that contain Sucrose in the following categories is provided:
Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

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

Cosmetics -> Soothing; Humectant; Skin conditioning

General Manufacturing Information · 6 items

Construction

.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl: ACTIVE

CARBOHYDRATE (QV) PRODUCT OF PHOTOSYNTHESIS COMPRISED OF 1, 2, OR MORE SACCHAROSE GROUPS. ... SUGAR IS IMPORTANT SOURCE OF METABOLIC ENERGY IN FOODS, & ITS FORMATION IN PLANTS IS ESSENTIAL FACTOR IN LIFE PROCESS.

Sucrose is the most important industrial sugar

Sucrose was first synthesized enzymatically in the laboratory from potassium D-glucosyl-1-phosphate and D-fructose. The first chemical synthesis was accomplished by reaction of 3,4,6-tri-O-acetyl-1,2-anhydro-alpha-D-glucopyranose with 1,3,4,6-tetra-O-acetyl-D-fructofuranose

Traditionally, the standard /sweetening agent/ is sucrose, both in terms of quality of taste and taste profile

Suppliers5 total

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
新维创生物科技（重庆）有限公司023-68264128 17725097785 · [email protected]