| Identification | More | [Name]
2,2,4-Trimethyl-1,3-pentanediol | [CAS]
144-19-4 | [Synonyms]
2,2,4-TRIMETHYL-1,3-PENTANEDIOL
2，2，4-Trimethyl-1，3-pentylene glycol
2,2,4-TRIMETHYLPENTANE-1,3-DIOL
2,2,4-TRIMETHYL PENTANEDIOL-1,3
TMPD GLYCOL
1,3-Dihydroxy-2,2,4-trimethyl pentane
2,2,4-trimethyl-3-pentanediol
3-Pentanediol,2,2,4-trimethyl-1
tmpd(alcohol)
2,2,4-TRIMETHYL-1,3-PENTANEDIOL, CRYSTAL LIZED
2,2,4-Trimethyl-1,3-pentanediol, pract.
1,3-Pentanediol, 2,2,4-trimethyl-
2,2,4-Trimethylpentandiol
1,3-PENTANEDIOL,2,2,4-TRIME
2,2,4-TRIMETHYLPENTANE-1,3-DIOL 96% | [EINECS(EC#)]
205-619-1 | [Molecular Formula]
C8H18O2 | [MDL Number]
MFCD00004681 | [Molecular Weight]
146.23 | [MOL File]
144-19-4.mol |
| Chemical Properties | Back Directory | [Appearance]
(96% pure): White solid. Slightly soluble in water; soluble in alcohol,
acetone, ether, and benzene. Combustible. | [Melting point ]
50-53 °C (lit.) | [Boiling point ]
232 °C (lit.) | [density ]
0,937 g/cm3 | [vapor pressure ]
0.314Pa at 20℃ | [refractive index ]
1.4513 | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Solid | [pka]
14.81±0.20(Predicted) | [color ]
Off-White | [Water Solubility ]
31.5g/L at 20℃ | [BRN ]
1698098 | [InChIKey]
JCTXKRPTIMZBJT-UHFFFAOYSA-N | [LogP]
1.25 at 22℃ | [Uses]
Polyester resins, plasticizers, lubricants, surface
coatings and printing inks, insect repellent. | [CAS DataBase Reference]
144-19-4(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3-Pentanediol, 2,2,4-trimethyl-(144-19-4) | [EPA Substance Registry System]
144-19-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
1
| [RTECS ]
SA1400000
| [TSCA ]
Yes | [HS Code ]
2905.39.9000 | [Hazardous Substances Data]
144-19-4(Hazardous Substances Data) | [Toxicity]
guinea pig,LD50,oral,2gm/kg (2000mg/kg),Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974. |
| Hazard Information | Back Directory | [Chemical Properties]
(96% pure): White solid. Slightly soluble in water; soluble in alcohol,
acetone, ether, and benzene. Combustible. | [Chemical Properties]
2,2,4-Trimethyl-1,3-pentanediol is a somewhat volatile liquid. | [Production Methods]
2,2,4-Trimethyl-1,3-pentanediol is made by reacting isobutyryl
chloride with ethyl isobutyrate. | [Definition]
2,2,4-Trimethyl-1,3-pentanediol (TMPD) glycol, with one primary and one secondary hydroxyl function, shows the typical reactivity of a diol. In comparison to other diols, such as 1,4-cyclohexanedimethanol) or NPG (Neopentyl glycol), TMPD glycol has an unsymmetrical structure and shielded hydroxyl groups.
| [Flammability and Explosibility]
Nonflammable | [Toxicology]
2,2,4-trimethyl-1,3-pentanediol (TMPD Glycol) is classified as "slightly toxic". In rabbits, moderate eye irritation was observed. Slight to no skin irritation occurred in guinea pigs, and no skin sensitization was found. Repeated skin application studies in humans gave no evidence of irritation, sensitization, photosensitization, or systemic toxic effects. In humans, TMPD glycol is rapidly excreted in the urine, partly unchanged, partly as the glucuronide and sulfate conjugates, and partly as 2,2,4-trimethyl-3-hydroxyvaleric acid. LD50 2000 (rat, oral), LD50 145 (rat, intravenous).
|
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)MS
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)1HNMR
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)13CNMR
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)IR1
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)IR2
2,2,4-Trimethyl-1,3-pentanediol(144-19-4)Raman
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