1,2:3,4:5,6-Tris-O-(1-methylethylidene)hexitol

HCID 316522

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Basic information

CAS: 1214702-92-7
Standard SMILES: CC1(C)OCC(C2OC(C)(C)OC2C2COC(C)(C)O2)O1
InChIKey: CKECEWYVEGPMPE-UHFFFAOYSA-N
Molecular formula: C15H26O6
Average molar mass: 302.36 g/mol
Monoisotopic mass: 302.17293855

Names & identifiers

Preferred name: 1,2:3,4:5,6-Tris-O-(1-methylethylidene)hexitol
IUPAC: 4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
English name: 4,5-Bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
Molecular formula: C15H26O6
Molecular weight: 302.36

Names & synonyms

4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane1214702-92-7DTXSID6012492471,2:3,4:5,6-Tris-O-(1-methylethylidene)hexitolRefChem:412237DTXCID901680068696-347-61,2:3,4:5,6-Tri-O-isopropylidene-D-mannitol3969-59-381704-51-0MFCD00138009(4R,5R)-4,5-BIS[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2,2-DIMETHYL-1,3-DIOXOLANE

Show more names

Hexitol, 1,2:3,4:5,6-tris-O-(1-methylethylidene)-

NSC20733CBDivE_003134SCHEMBL12708713rel-(4R,4'S,4''S,5'R)-2,2,2',2',2'',2''-Hexamethyl-4,4':5',4''-ter(1,3-dioxolane)NSC-20733NSC2447722,2,2',2',2'',2''-HEXAMETHYL-4,4':5',4''-TER(1,3-DIOXOLANE)AKOS015896846

Database identifiers

CAS: 1214702-92-7、3969-59-3、81704-51-0
PubChem CID: 316522
DTXSID: DTXSID601249247
EC Number: 696-347-6

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 369

Physicochemical properties

Boiling point: 342.8 · 342.8±42.0 °C(Predicted)
Density: 1.099 · 1.099±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H312-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H312-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501