Basic information
- CAS
13836-48-1- Standard SMILES
CC(C)(c1ccc(OCC(O)CCl)cc1)c1ccc(OCC2CO2)cc1- InChIKey
HLLOKZYCSSQYEB-UHFFFAOYSA-N- Molecular formula
- C21H25ClO4
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.14413696
Names & identifiers
- Preferred name
- Bisphenol A (3-chloro-2-hydroxypropyl)glycidyl ether
- IUPAC
- 1-chloro-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
- English name
- Bisphenol a (3-chloro-2-hydroxypropyl) G
- Molecular formula
- C21H25ClO4
- Molecular weight
- 376.87
Names & synonyms
13836-48-1Bisphenol A (3-chloro-2-hydroxypropyl)glycidyl etherBisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether7W5KTO0C7SBisphenol A 3-chloro-2-hydroxypropyl glycidyl ether1-Chloro-3-(4-(1-methyl-1-(4-(2-oxiranylmethoxy)phenyl)ethyl)phenoxy)-2-propanol2-Propanol, 1-chloro-3-(4-(1-methyl-1-(4-(2-oxiranylmethoxy)phenyl)ethyl)phenoxy)-2-Propanol, 1-chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-RefChem:569540635-062-3BADGE-HCl1-chloro-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
Show more names
Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether in acetonitrile2-[4-(3-chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propane1-Chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-2-propanolBADGE-HCl, 2-[4-(3-Chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propaneBisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether,2-[4-(3-Chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propane, BADGE-HCl
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 537.3 · 537.3±50.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D 1.573
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
- pka
- 13.13 · 13.13±0.20(Predicted)
- Stability
- Hygroscopic
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- InChI
- 1S/C21H25ClO4/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,23H,11-14H2,1-2H3
- InChIKey
- HLLOKZYCSSQYEB-UHFFFAOYSA-N
- SMILES
- CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC3CO3)cc2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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-Propanol, 1-chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-28-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesThe epoxy resin Bisphenol A Diglycidyl Ether (BADGE), its hydrolysis products and a chlorohydrin of BADGE (BADGE·2HCl), have been examined for their genotoxicity in the micronucleus test and mutagenicity in the Ames Salmonella assay.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海艾梯西生物科技有限公司18721763493
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东翁江化学试剂有限公司
Related reactions
1 records
Compound notes
Loading…