Isomaltitol

HCID 94169

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 534-73-6
Standard SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: SERLAGPUMNYUCK-YJOKQAJESA-N
Molecular formula: C12H24O11
Average molar mass: 344.31 g/mol
Monoisotopic mass: 344.13186158

Names & identifiers

Preferred name: Isomaltitol
IUPAC: (2S,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
English name: 6-O-alpha-D-Glucopyranosyl-D-glucitol
Molecular formula: C12H24O11
Molecular weight: 344.31

Names & synonyms

Isomaltitol534-73-66-O-alpha-D-Glucopyranosyl-D-glucitolQFA026JZX2DTXSID30745711,6-GPSCHEBI:152898D-Glucitol, 6-O-alpha-D-glucopyranosyl-RefChem:149515GlyTouCan:G67036DM1,6-Sorbitol glucopyranosideDTXCID1041423

Show more names

IsmaltolIsomaltitol ,98%6-O-α-D-Glucopyranosyl-D-sorbitol6-O-α-D-Glucopyranosyl-D-glucitolD-Glucitol, 6-O-α-D-glucopyranosyl-6-O-(α-D-Glucopyranosyl)-D-sorbitolIsomaltitol,6-O-α-D-Glucopyranosyl-D-glucitol6-O-ALPHA-D-GLUCOPYRANOSYL-D-GLUCITOL USP/EP/BP6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol

G67036DM6-O alpha-D-glucopyranosyl-D-glucitol208-605-3(2S,3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaolD-Glucitol, 6-O-.alpha.-D-glucopyranosyl-(2S,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentolglucosylsorbitolMFCD00083636

Database identifiers

CAS: 534-73-6
PubChem CID: 94169
DTXSID: DTXSID3074571
ChEBI: CHEBI:152898
UNII: QFA026JZX2
EC Number: 208-605-3
Nikkaji: J188.379H

Properties

Computed structural properties

XLogP: -5.2
Topological polar surface area: 201 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 343

Physicochemical properties

Melting point: 165.5 · 165.5-167 °C
Boiling point: 788.5 · 788.5±60.0 °C(Predicted)
Density: 1.69 · 1.69±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: Water (Slightly)
form: Solid
pka: 12.89 · 12.89±0.70(Predicted)
color: White to Off-White
Stability: Hygroscopic
FDA UNII: 26 JZX2 · QFA026JZX2
EPA Substance Registry System: 6 · D-Glucitol, 6-O-.alpha.-D-glucopyranosyl- (534-73-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29400090 · 29400090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: D-Glucitol, 6-O-.alpha.-D-glucopyranosyl-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information · 2 items

Chemical: D-Glucitol, 6-O-.alpha.-D-glucopyranosyl-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29400090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationD-Glucitol, 6-O-.alpha.-D-glucopyranosyl-: ACTIVE

Applications

UsesIsomaltitol is a carbohydrate.

Upstream & downstream products

Upstream raw materials

Sucrose 6-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 6-O-alpha-D-glucopyranosyl-D-glucitol is a glycosyl alditol consisting of alpha-D-glucopyranose and D-glucitol residues joined in sequence by a (1->6)-glycosidic bond. It is an O-acyl carbohydrate and a glycosyl alditol. It is functionally related to a beta-D-glucose and a D-glucitol.