1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
Basic information
- CAS
68959-25-1- Standard SMILES
CC(C)C(O)C(C)(C)COCCO- InChIKey
IDKLTESMXSAQGI-UHFFFAOYSA-N- Molecular formula
- C10H22O3
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.15689456
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
- IUPAC
- 1-(2-hydroxyethoxy)-2,2,4-trimethylpentan-3-ol
- English name
- 1-(2-hydroxyethoxy)-2,2,4-trimethylpentan-3-ol
- Molecular formula
- C10H22O3
- Molecular weight
- 190.28
Names & synonyms
3-Pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl-68959-25-11-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanolEINECS 273-409-7UNII-88UQ7Z52MZ88UQ7Z52MZDTXSID5041489RefChem:74168DTXCID3021489273-409-71-(2-Hydroxyethoxy)-2,2,4-trimethylpentan-3-olSCHEMBL2454510
Show more names
TRIMETHYL PENTANOL HYDROXYETHYL ETHER
IDKLTESMXSAQGI-UHFFFAOYSA-NNS00036782Q27269956
Database identifiers
- CAS
68959-25-1- PubChem CID
- 111479
- DTXSID
DTXSID5041489- UNII
- 88UQ7Z52MZ
- EC Number
- 273-409-7
- Nikkaji
- J310.644F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 297.8 · 297.8±15.0 °C(Predicted)
- Density
- 0.971 · 0.971±0.06 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.10(Predicted)
- Cosmetics Ingredients Functions
- VISCOSITY CONTROLLINGSOLVENT
- LogP
- 0.981 · 0.981 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 88 UQ7Z52MZ · 88UQ7Z52MZ
- EPA Substance Registry System
- 3 · 3-Pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl- (68959-25-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- 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.
Hazard information
Regulatory Information3-Pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl-: 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pentanol, 1-(2-hydroxyethoxy)-2,2,4-trimethyl-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…