3,5-Dimethylpyrazol-1-methanol
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Basic information
- CAS
85264-33-1- Standard SMILES
Cc1cc(C)n(CO)n1- InChIKey
OBENDWOJIFFDLZ-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931294
Names & identifiers
- Preferred name
- 3,5-Dimethylpyrazol-1-methanol
- IUPAC
- (3,5-dimethylpyrazol-1-yl)methanol
- English name
- 3,5-Dimethylpyrazole-1-methanol
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
85264-33-1(3,5-Dimethyl-1H-pyrazol-1-yl)methanol3,5-Dimethylpyrazole-1-methanol3,5-Dimethyl-1H-pyrazole-1-methanolDimethyl hydroxymethyl pyrazole1H-Pyrazole-1-methanol, 3,5-dimethyl-3,5-dimethylpyrazol-1-methanolDTXSID1032513EINECS 286-553-01-(hydroxymethyl)-3,5-dimethylpyrazoleNSC 71880NSC-71880
Show more names
busan1104AKOS B015967AKOS PAO-1331TIMTEC-BB SBB004250ART-CHEM-BB B0159676-Phenyl-1,10-phenanthrolinedimethylhydroxymethylpyrazole3,5-DIMETHYLPYRAZOLE-1-CARBINOL
968267D0APBUSAN 1504DTXCID9012513DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLEPYRAZOLE-1-METHANOL, 3,5-DIMETHYL-N-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE2-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE3,5-DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLE
Database identifiers
- CAS
85264-33-1- PubChem CID
- 96393
- DTXSID
DTXSID1032513- ChEMBL
CHEMBL1828958- UNII
- 968267D0AP
- EC Number
- 286-553-0
- Nikkaji
- J307.630J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
CosmeticsAntimicrobial
Physicochemical properties
- Melting point
- 110 · 110-112 °C(lit.)
- Boiling point
- 234.28 °C · 234.28°C (rough estimate)
- Density
- 1.1192 · 1.1192 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- pka
- 13.34 · 13.34±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 115623 · 115623
- Cosmetics Ingredients Functions
- ANTIMICROBIAL
- InChI
- 1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3
- InChIKey
- OBENDWOJIFFDLZ-UHFFFAOYSA-N
- SMILES
- Cc1cc(C)n(CO)n1
- LogP
- 0.29 · 0.290 (est)
- CAS DataBase Reference
- 85264 · 85264-33-1(CAS DataBase Reference)
- FDA UNII
- 968267 D0AP · 968267D0AP
- EPA Substance Registry System
- Dimethyl hydroxymethyl pyrazole (85264-33-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H412
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-52/53
- Safety Statements
- 26 · 26-37/39-61
- WGK Germany
- 3 · 3
- RTECS
- 7159000 · UQ7159000
- HS Code
- 29331990 · 29331990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 Eye · Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
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]
P261, P264, P264+P265, P271, P273, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UQ7159000
- hs_code
- 29331990
- risk_code
- 36/37/38-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-61
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H412
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial
Applications
Uses3,5-Dimethylpyrazole-1-methanol may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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