1,2-Benzenedimethanol
Basic information
- CAS
612-14-6- Standard SMILES
OCc1ccccc1CO- InChIKey
XMUZQOKACOLCSS-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2-Benzenedimethanol
- IUPAC
- [2-(hydroxymethyl)phenyl]methanol
- English name
- 1,2-Benzenedimethanol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
1,2-Benzenedimethanol612-14-61,2-Bis(hydroxymethyl)benzeneNSC-403013M3SLJ97BU6DTXSID4060604RefChem:71667DTXCID3042976210-293-91,2-phenylenedimethanolPhthalyl alcohol[2-(hydroxymethyl)phenyl]methanol
Show more names
α,α'-o-Xylenediolo-xylene-à,à'-diolO-BENZENEDIMETHANOLRARECHEM AL BD 0044O-XYLYLENE DIALCOHOL1,2-Diphenylmethanol
o-Xylene-alpha,alpha'-diolMFCD00004626o-Xylylene GlycolAluminacyclohexanealpha,alpha'-Dihydroxy-o-xyleneNSC 4030132-Hydroxymethylbenzenemethanol6680-73-5
Database identifiers
- CAS
612-14-6- PubChem CID
- 69153
- DTXSID
DTXSID4060604- UNII
- M3SLJ97BU6
- EC Number
- 210-293-9
- Nikkaji
- J134.736E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 63 · 63-65 °C(lit.)
- Boiling point
- 145 °C · 145 °C / 3mmHg
- Density
- 1.0742 · 1.0742 (rough estimate)
- refractive index
- 1.559 · 1.5590 (estimate)
- Flash point
- 145 ° · 145°
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 158 g/l · 158g/l
- pka
- 13.96 · 13.96±0.10(Predicted)
- form
- Powder
- color
- White to light yellow
- Water Solubility
- Soluble in water, ether, ethanol, benzene.
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
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,2-Benzenedimethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062900
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1,2-Benzenedimethanol: INACTIVE
Applications
Uses1,2-Benzenedimethanol is a raw material used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
35 records
Compound notes
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