CAS 10438-94-5 Octyl-sepharose CL-4B (HCID 112041)

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Basic information

CAS: 10438-94-5
Standard SMILES: CCCCCCCCOCC(O)CO
InChIKey: GUPXYSSGJWIURR-UHFFFAOYSA-N
Molecular formula: C11H24O3
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.17254463

Names & identifiers

Preferred name: Octyl-sepharose CL-4B
IUPAC: 3-octoxypropane-1,2-diol
English name: OCTYL RESIN
Molecular formula: C11H24O3
Molecular weight: 204.30646

Names & synonyms

Octyl-sepharoseOctyl-sepharose CL-4BOctylagarose CL-4BOctylsepharose CL-4B69106-60-1RefChem:57378710438-94-53-(octyloxy)propane-1,2-diol3-octoxypropane-1,2-diol1,2-Propanediol, 3-(octyloxy)-caprylyl glyceryl ether3-(Octyloxy)-1,2-propanediol

Show more names

OCTYL RESINOCTYL SEPHAROSE 4 FAST FLOWSepharose CL 4B, 2-hydroxy-3-(octyloxy)propyl ether

1-Glyceryloctyl etheroctadioloctyl glyceryl etherMI97BW74XZGLYCEROL 1-OCTYL ETHERNSC6254473-OCTYLOXY-PROPANE-1,2-DIOL3-octyloxypropane-1,2-diol

Database identifiers

CAS: 10438-94-5、69106-60-1、80869-57-4
PubChem CID: 112041
DTXSID: DTXSID50874273
ChEMBL: CHEMBL1974894
UNII: MI97BW74XZ
EC Number: 837-816-9
Nikkaji: J116.269A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 107

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Chromatography

CosmeticsCosmetic ingredients (Caprylyl Glyceryl Ether) -> CIR (Cosmetic Ingredient Review)

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

storage temp.: 2 · 2-8°C
Hazard Codes: Xi
Risk Statements: 10 · 10
Safety Statements: 7 · 7-16
RIDADR: 1170 · UN 1170 3/PG 3
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 02-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31173

Sepharose CL 4B, 2-hydroxy-3-(octyloxy)propyl ether: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee Phenyl-sepharose. See Agarose.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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