Anhydroxylitol

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Basic information

CAS: 491-19-0
Standard SMILES: OC[C@H]1OC[C@H](O)[C@H]1O
InChIKey: KZVAAIRBJJYZOW-VPENINKCSA-N
Molecular formula: C5H10O4
Average molar mass: 134.13 g/mol
Monoisotopic mass: 134.0579088

Names & identifiers

Preferred name: Anhydroxylitol
IUPAC: (2R,3R,4S)-2-(hydroxymethyl)oxolane-3,4-diol
English name: 1,4-anhydroxylitol
Molecular formula: C5H10O4
Molecular weight: 134.13

Names & synonyms

1,4-Anhydro-D-xylitol53448-53-6491-19-0(2R,3R,4S)-2-(Hydroxymethyl)tetrahydrofuran-3,4-diol1,4-AnhydroxylitolAnhydroxylitolD-Xylitol, 1,4-anhydro-XYLITANXylitol, 1,4-anhydro-5KQL0CX6R6EINECS 258-560-9RefChem:558093

Show more names

rel-1,4-Anhydro-D-xylitol(2R,3S,4S)-2-(HYDROXYMETHYL)-TETRAHYDROFURAN-3,4-DIOL

ANHYDROXYLITOL [INCI]258-560-9(2R,3R,4S)-2-(hydroxymethyl)oxolane-3,4-diolMFCD279230118XWR7NN42Frel-(2R,3R,4S)-2-(Hydroxymethyl)tetrahydrofuran-3,4-diolUNII-5KQL0CX6R6UNII-8XWR7NN42F

Database identifiers

CAS: 491-19-0、53448-53-6
PubChem CID: 104501
DTXSID: DTXSID70964160
UNII: 5KQL0CX6R6、8XWR7NN42F
EC Number: 258-560-9
Nikkaji: J295.958E

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 95

Experimental & physicochemical properties

CosmeticsCosmetic ingredients (Anhydroxylitol) -> CIR (Cosmetic Ingredient Review)

Physicochemical properties

Boiling point: 155 · 155-160 °C(Press: 0.2 Torr)
Density: 1.453 · 1.453±0.06 g/cm3(Predicted)
pka: 13.72 · 13.72±0.60(Predicted)
FDA UNII: 5 KQL0CX6R6 · 5KQL0CX6R6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

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

Hazard information

Regulatory Information · 2 items

Chemical: D-Xylitol, 1,4-anhydro-

1,4-Anhydro-D-xylitol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - D-Xylitol, 1,4-anhydro-: Environment tier I assessment

Toxicology

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Anhydroxylitol

Household ProductsInformation on 5 consumer products that contain 1,4-Anhydroxylitol in the following categories is provided:

Related reactions

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Compound notes

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