Basic information
- CAS
9012-54-8- Standard SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
FYGDTMLNYKFZSV-CSHPIKHBSA-N- Molecular formula
- C18H32O16
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 504.16903493
Overview
Beta-cellotriose is a cellotriose with a beta-configuration at the anomeric position.
Names & identifiers
- Preferred name
- Cellulase
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- cellulase
- Molecular formula
- NULL
- Molecular weight
- 0
Names & synonyms
Cellulase9012-54-8CellulysinEndoglucanaseEndo-1,4-beta-GlucanaseGlyTouCan:G14338VKCellulase, aspergillus nigerCellulase, trichoderma viridebeta 1,4 Glucan 4 Glucanohydrolase(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol1,4-(1,3;1,4)-beta-D-Glucan-4-glucanohydrolase(2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Show more names
cellulase enzymeAcid cellulaseProtease EnzymeCelluaseMEICELASEDefinitionCelluclast 1.5LCellulose enzymeCELLULASE ONOZUKA R-10
RefChem:388872Endo 1,4 beta GlucanaseDTXSID2049638G14338VKbeta-1,4-Glucan-4-Glucanohydrolase7Q170212NXEC 3.2.1.4232-734-4
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 641
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Enzymes
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid; [IUCLID]
Physicochemical properties
- Density
- 1.2 g/mL · 1.2 g/mL at 25 °C
- vapor pressure
- 0.004 Pa · 0.004Pa at 25℃
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · deionized water: soluble5.0mg/mL (Sterile; In the presence of 0.15% polyhexamethylene biguanide (PHMB).)
- form
- powder
- color
- white
- biological source
- fungus (Trichoderma viride)
- Water Solubility
- Soluble in cold water.
- Specific Activity
- 3 · 3-10units/mg solid
- Cosmetics Ingredients Functions
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
Danger
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.6% (11 of 1889) of reports.
Danger
H334 (99.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Hazard information
Regulatory Information
Chemical: Cellulase
Hazard Traits - Respiratory Toxicity
Hazard Traits - Respiratory Toxicity
Cellulase is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cellulase 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)
XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
REACH registered substance: Cellulase (EC: 232-734-4)
Other Safety InformationIMAP assessments - Cellulase: Environment tier I assessment
Hazards SummaryMay cause respiratory sensitization; [IUCLID] May cause irritation and respiratory sensitization; [Sigma-Aldrich MSDS] Danger of airway sensitization; [MAK] See Fungal cellulase.
EPA Safer ChemicalChemical: Cellulase
Hazard Classes and Categories
Resp. Sens. 1A (99.4%)
Respiratory sensitisation - category 1
Resp. Sens. 1
Chemistry & industry
Uses & manufacturing
UsesIn enzyme preparations used to make instant coffee, bread, fruit juice, and wine; [JECFA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 26 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household Products
Cosmetics product ingredient: Cellulases with the exception of those specified elsewhere in EC Annex VI (Cellulase (9012-54-8)))
Information on 104 consumer products that contain Cellulase in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Enzymes and Enzyme Stabilizers
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
General Manufacturing Information
Not Known or Reasonably Ascertainable
Cellulase: ACTIVE
Applications
UsesCellulase has been used to degrade cello-oligosaccharides into glucose and to study the biodegradability of bioabsorbable bacterial cellulose (BBC) material. It has been used in a study to assess the differential regulation of the cellulase transcription factors XYR1, ACE2, and ACE. It is also applied in the biodegradation of paper products such as foolscap paper, filter paper, newspaper and office paper as well as microcrystalline cellulose. It is added to detergents to improve cleansing properties.
Cellulase from Aspergillus niger has been used:in the preparation of the standardized solution to determine absolute cellulase levelsin phosphate-citric acid buffer for activity assayin non-starch polysaccharide degrading enzyme cocktail for in vitro hydrolysis of defatted rice bran and in the approach to improve the nutritive value of poultry feed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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