2,2'-Oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)
Basic information
- CAS
14697-50-8- Standard SMILES
CC1CC(C)(C)OB(OB2OC(C)CC(C)(C)O2)O1- InChIKey
KUZYYSNLEIAJQJ-UHFFFAOYSA-N- Molecular formula
- C12H24B2O5
- Average molar mass
- 269.9 g/mol
- Monoisotopic mass
- 270.18098467
Names & identifiers
- Preferred name
- 2,2'-Oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)
- IUPAC
- 4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane
- English name
- HEXYLENEGLYCOL BIBORATE
- Molecular formula
- C6H16B2O6
- Molecular weight
- 205.80964
Names & synonyms
2,2'-Oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane)Borester 33Caswell No. 627Hexyleneglycol boron anhydrideEPA Pesticide Chemical Code 012402UNII-5EVZ80W5DZEINECS 238-749-25EVZ80W5DZBRN 1712941AI3-505021,3,2-Dioxaborinane, 2,2'-oxybis(4,4,6-trimethyl-BORESTER-33
Show more names
HEXYLENEGLYCOL BIBORATE4,4,6-trimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]-1,3,2-dioxaborinane
2,2'-oxybis[4,4,6-trimethyl-1,3,2-dioxaborinane]J227.151FDTXSID20342074-01-00-02569 (Beilstein Handbook Reference)1,3,2-Dioxaborinane, 2,2'-oxybis[4,4,6-trimethyl-2,4-Pentanediol, 2-methyl-, cyclic B,B:B',B'-diester with boric acid (H4-B2-O5)2,4-Pentanediol, 2-methyl-, cyclic B,B:B',B'-diester with boric acid (H4B2O5)RefChem:80755
Database identifiers
- CAS
14697-50-8- PubChem CID
- 61764
- DTXSID
DTXSID2034207- UNII
- 5EVZ80W5DZ
- EC Number
- 238-749-2
- Nikkaji
- J227.151F
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Pesticides
Pesticides -> Fungicides
Biocide
Physical DescriptionBiobor: Yellow liquid; A mixture with 2,2'-(1-Methyltrimethylenedioxy)bis(4-methyl-1,3,2-dioxaborinane), CAS # 2665-13-6; [Reference #1]
Physicochemical properties
- FDA UNII
- 5 EVZ80W5DZ · 5EVZ80W5DZ
- EPA Substance Registry System
- 2 · 2,2'-Oxybis(4,4,6-trimethyl-1,3,2-dioxaborinane) (14697-50-8)
- Symbol(GHS)
- 8 · GHS08,GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 360 · H360-H226-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P318, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,3,2-Dioxaborinane, 2,2'-oxybis[4,4,6-trimethyl-
Hazards Summary
Biobor: In a developmental toxicity study of rats by gavage the LOEL for maternal toxicity was 1,000 mg/kg/day (reduced weight gain), while the LOEL for developmental toxicity was 300 mg/kg/day (reduced mean fetal weight and increased frequency of reduced or incomplete ossification of the skull, vertebrae, and sternebrae); A developmental study in rabbits also produced teratogenic effects at doses below those maternally toxic; Preliminary studies on mutagenicity showed negative results; [Reference #1] See Boric acid. See 2,2'-(1-Methyltrimethylenedioxy)bis(4-methyl-1,3,2-dioxaborinane).
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse Effects
Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.
Chemistry & industry
Uses & manufacturing
Uses
Biobor: Used as fungicide for fuel tanks and lines of vehicles, farm equipment, and industrial engines; Prevents growth of slime forming bacteria and fungi in non-gasoline fuels; [Reference #1]
Using Disinfectants or Biocides [Category: Clean]
General Manufacturing Information1,3,2-Dioxaborinane, 2,2'-oxybis[4,4,6-trimethyl-: ACTIVE
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Compound notes
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