(2,3-Dimethylphenyl)methanol
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Basic information
- CAS
13651-14-4- Standard SMILES
Cc1cccc(CO)c1C- InChIKey
ZQQIVMXQYUZKIQ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- (2,3-Dimethylphenyl)methanol
- IUPAC
- (2,3-dimethylphenyl)methanol
- English name
- 2,3-Dimethylbenzyl alcohol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
(2,3-Dimethylphenyl)methanolDTXSID50929454RefChem:394531DTXCID801358202808-013-013651-14-42,3-Dimethylbenzyl alcoholBenzenemethanol, 2,3-dimethyl-MFCD00046742UNII-425SS1L63QNSC 59890NSC-59890
Show more names
HemellitenolRARECHEM AL BD 04812,3-Dimethylbenzenemethanol2,3-DimethylbenzylAlcohol>(2,3-DIMETHYLPHENYL)METHANOL2,3-Dimethylbenzyl alcohol ISO 9001：2015 REACH
Benzyl alcohol, 2,3-dimethyl-425SS1L63QNSC598901-hydroxymethyl-2,3-dimethylbenzeneDS-2632CS-0153611Q27258496Benzenemethanol, dimethyl-
Database identifiers
- CAS
13651-14-4、62862-32-2- PubChem CID
- 96208
- DTXSID
DTXSID50929454- UNII
- 425SS1L63Q
- EC Number
- 808-013-0
- Nikkaji
- J43.366G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 63 to · 63.0 to 67.0 °C
- Boiling point
- 131 °C/13mmHg · 131°C/13mmHg(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
- FDA UNII
- 425 SS1L63Q · 425SS1L63Q
- NIST Chemistry Reference
- 2 · Benzyl alcohol, 2,3-dimethyl-(13651-14-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)
Safety data
- hs_code
- 2906290090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses2,3-Dimethylbenzyl alcohol is an alcohol derivative that can be used to synthesize anti-tuberculosis drugs.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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