CAS 3586-55-8 Dimethylol glycol (HCID 62511)

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Basic information

CAS: 3586-55-8
Standard SMILES: OCOCCOCO
InChIKey: BXGYYDRIMBPOMN-UHFFFAOYSA-N
Molecular formula: C4H10O4
Average molar mass: 122.12 g/mol
Monoisotopic mass: 122.0579088

Names & identifiers

Preferred name: Dimethylol glycol
IUPAC: 2-(hydroxymethoxy)ethoxymethanol
English name: (ethylenedioxy)dimethanol
Molecular formula: C4H10O4
Molecular weight: 122.12

Names & synonyms

(Ethylenedioxy)dimethanol3586-55-8Dimethylol glycolEthylene glycol bis(semiformal)1,2-Bis(hydroxymethoxy)ethaneY772Z5O19GGROTAN TK5EINECS 222-720-6(1,2-Ethanediylbis(oxy))bismethanolMethanol, (1,2-ethanediylbis(oxy))bis-1,2-Bis[hydroxymethoxy]ethaneMethanol, [1,2-ethanediylbis(oxy)]bis-

Show more names

EDDM1,6-Dihydroxy-2,5-dioxahexaneBODOXIN AEDascocide 9Glycerol Impurity 5(Ethylendioxy)dimethanolEthylene glycol hemiacetal2-methyloloxyethoxymethanol

(1,2-ETHANEDIYLBIS(OXY)BISMETHANOLMETHANOL, 1,1'-(1,2-ETHANEDIYLBIS(OXY))BIS-RefChem:588581DIMETHYLOL GLYCOL [INCI]222-720-62-(hydroxymethoxy)ethoxymethanoldimethanol(Ethane-1,2-diylbis(oxy))dimethanol

Database identifiers

CAS: 3586-55-8
PubChem CID: 62511
DTXSID: DTXSID5041225
UNII: Y772Z5O19G
EC Number: 222-720-6
Nikkaji: J216.223G

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 33

Physicochemical properties

Boiling point: 90 ℃ · 90℃
Density: 1.193 · 1.193
Flash point: 8 ℃ · 8℃
pka: 12.76 · 12.76±0.10(Predicted)
Viscosity: 34.5 mm2/s · 34.5mm2/s
Cosmetics Ingredients Functions: ANTIMICROBIAL
InChI: InChI=1S/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2
InChIKey: BXGYYDRIMBPOMN-UHFFFAOYSA-N
SMILES: C(OCO)COCO
LogP: -0.976 · -0.976 (est)
FDA UNII: 772 Z5O19G · Y772Z5O19G
EPA Substance Registry System: 1 · 1,2-Bis[hydroxymethoxy]ethane (3586-55-8)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.8% (41 of 1068) of reports.

Danger

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1068 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 3 items

Chemical: Methanol, [1,2-ethanediylbis(oxy)]bis-

Status: Active Update: 13-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19636

Ethylenedioxy-dimethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 items

Acute Tox. 4 (93.3%)

Flammable liquids - Category 4

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H302-H315
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310