Basic information
- CAS
18549-40-1- Standard SMILES
CC1(C)OC2OC(C(O)CO)C(O)C2O1- InChIKey
BGGCXQKYCBBHAH-UHFFFAOYSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Names & identifiers
- Preferred name
- 1,2-O-(1-Methylethylidene)hexofuranose
- IUPAC
- 1-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
- English name
- 1,2-O-Isopropylidene-D-glucofuranose
- Molecular formula
- C9H16O6
- Molecular weight
- 220.22
Names & synonyms
253328-56-21,2-O-(1-Methylethylidene)hexofuranose1,2-O-Isopropylidene-?-D-glucofuranose1-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol1-{6-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl}ethane-1,2-diol1093405-76-5NSC 169729747-91-9Maybridge3_000378Oprea1_758719CBDivE_002426orb2941822
Show more names
ACETONE-D-GLUCOSE1,2-O-Isopropylidene-α-D-glucofuranose1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE(1R)-1-((5R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diolMONOACETONE GLUCOSE1,2-O-ISOPROPYLIDENE-A-D-GLUCOFURANOSEAcetone GlucoseMonoketoglucoseMONOACETONGLUCOSE1,2-O-Isopropylidene
SCHEMBL4735494NSC1697BGGCXQKYCBBHAH-UHFFFAOYSA-NHMS1432B04DKA32856NSC-1697AKOS002164764AKOS016290832
Database identifiers
- CAS
18549-40-1、29747-91-9- PubChem CID
- 219905
- EC Number
- 151-123-2
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 159 · 159-160 °C(lit.)
- alpha
- -13 · -13 º (c=1, H2O)
- Boiling point
- 321.15 °C · 321.15°C (rough estimate)
- Density
- 1.256 · 1.2560 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 13.19 · 13.19±0.60(Predicted)
- color
- White
- optical activity
- 20 · [α]20/D 13°, c = 1 in H2O
- BRN
- 82670 · 82670
- InChIKey
- BGGCXQKYCBBHAH-HEIBUPTGSA-N
- CAS DataBase Reference
- 18549 · 18549-40-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1,2-O-isopropylidene-d-glucofuranose(18549-40-1)
- EPA Substance Registry System
- 1 · .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)- (18549-40-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 24 · 24/25-36-26
- WGK Germany
- 3 · 3
- F
- 21 · 21
- TSCA
- TSCA listed
- HS Code
- 29329990 · 29329990
- REACH Registrations
- Active
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses1,2-O-Isopropylidene-alpha-D-glucofuranose is used in method for preparaing Tribenoside.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
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科瑞迪化学400-821-5857 021-64326257 · [email protected]
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Syntechem Co.,Ltd[email protected]
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Related reactions
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Compound notes
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