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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 72801Generated: October 23, 2026

2,2,2-Cryptand

2,2,2-CRYPTAND · CRYPTAND 222 · 4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE · 2,2,2-CRYPT · KRYPTOFIX(R) 222 · ligand222 · Ligand 222 · CRYPT-2,2,2

https://huagongshe.com/en/chemical/72801

2,2,2-Cryptand molecular structure

Identifiers & Physical Properties

CAS No.23978-09-8
Molecular formulaC18H36N2O6
Average molar mass376.5 g/mol
Monoisotopic mass376.25733687 g/mol
SMILESC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
InChIKeyAUFVJZSDSXXFOI-UHFFFAOYSA-N
PubChem CID72801
EC No.245-962-4
DTXSIDDTXSID00178697

Chemical & Physical Properties

XLogP-1
Topological polar surface area61.9
Hydrogen bond donors0
Hydrogen bond acceptors8
Rotatable bonds0
Heavy atoms26
Formal charge0
Complexity247
Chemical classesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesChemical shift
LogP (partition coefficient)-0.1
Physical DescriptionColorless to light yellow crystals[EMD MSDS]
Melting point68-71 °C(lit.)
Boiling point505.03°C (rough estimate)
Density1.1888 (rough estimate)
Refractive index1.5700 (estimate)
Storage conditionsStore at +2°C to +8°C.
SolubilityChloroform (Slightly), Methanol (Slightly, Heated)soluble
Physical stateSolid
pKa (acidity coefficient)7.21±0.20(Predicted)
ColorWhite to Off-White
BRN620282
InChIInChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
InChIKeyAUFVJZSDSXXFOI-UHFFFAOYSA-N
SMILESN12CCOCCOCCN(CCOCCOCC1)CCOCCOCC2
CAS DataBase Reference23978-09-8(CAS DataBase Reference)
FDA UNII18V22YHN6G
NIST Chemistry Reference4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane(23978-09-8)
UNSPSC Code41116107
NACRESNA.24
GHS pictogramGHS05,GHS07
Signal wordDanger
GHS hazard statementsH302-H315-H318
GHS precautionary statementsP264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi,Xn
Risk statements (R)36/37/38-22
Safety statements (S)26-36-36/37/39
Water hazard class (WGK)3
RTECS numberMP4750000
Customs code2934 99 90
Storage class11 - Combustible Solids
Hazard classAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2
ToxicityLD50 orally in Rabbit: > 300 - 2000 mg/kg

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo8.8.8hexacosane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards summaryIntraperitoneal LD50 (rat) = 110 mg/kgIntravenous LD50 (rat) = 35 mg/kg[RTECS] An irritant[EMD MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
RTECS numberMP4750000
Customs code2934 99 90
ToxicityLD50 orally in Rabbit: > 300 - 2000 mg/kg
Risk statements (R)36/37/38-22
Signal wordDanger
GHS pictogramGHS05,GHS07
Hazard symbolsXi,Xn
Safety statements (S)26-36-36/37/39
Storage class11 - Combustible Solids
GHS hazard statementsH302-H315-H318
Hazard classAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2
GHS precautionary statementsP264-P270-P280-P301+P312-P302+P352-P305+P351+P338

Applications & Uses

Uses

Kryptofix 222 is used in the synthesis of hybrid metal-organic salts. It is also an impurity in the preparation of Fludeoxyglucose (D232570), a D-Glucose (G595000) derivative used in the synthesis of sugar nucleotides and oligosaccharides.