2,2,4-Trimethyl-1,3-pentanediol
Properties
- Molecular formula
- C8H18O2
- Molar mass
- 146.23 g/mol
- Exact mass
- 146.1307 Da
- Density
- 0.937 g/mL (at 15 °C)
- Melting point
- 51–52 °C
- Boiling point
- 234 °C (at 737 Torr)
- Flash point
- 112.8 °C (open cup)
- logP
- 1.02Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed18.4% of notifiers
- H315 Causes skin irritation17.2% of notifiers
- H319 Causes serious eye irritation96.3% of notifiers
- H335 May cause respiratory irritation59.4% of notifiers
Aggregated from 244 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
144-19-4SMILES
CC(C)C(O)C(C)(C)COInChIKey
JCTXKRPTIMZBJT-UHFFFAOYSA-NInChI
InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1,3-Pentanediol, 2,2,4-trimethyl-
- TMPD (alcohol)
- NSC 6368
- Nexcoat 795
- 2,2,4-Trimethylpentan-1,3-diol
Work with 2,2,4-Trimethyl-1,3-pentanediol
Similar compounds
Texanol25265-77-444 % similar
Beta3,beta3,beta9,beta9-Tetramethyl-2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diethanol1455-42-139 % similar
Trimethylolethane77-85-033 % similar
Panthenol16485-10-233 % similar
(+)-Panthenol81-13-033 % similar
Neopentyl glycol126-30-732 % similar
Neopentyl alcohol75-84-332 % similar
1-Methylcyclopropanemethanol2746-14-731 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds