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2163-42-0

2163-42-0 Structure

2163-42-0 Structure
IdentificationMore
[Name]

2-METHYL-1,3-PROPANEDIOL
[CAS]

2163-42-0
[Synonyms]

1,3-DIHYDROXY-2-METHYLPROPANE
2-METHYL-1,3-PROPANEDIOL
2-METHYL-PROPAN-1,3-DIOL
MPDIOL(R)
MPDIOL(R) GLYCOL
2-methyl-3-propanediol
3-Propanediol,2-methyl-1
MP diol glycol
METHYLPROPANEDIOL
3-Methyl-1,3-Propanediol
1,3-Propanediol, 2-methyl-
2-METHYL-1,3-PROPANEDIOL 98+%
MPDIOL MPD
[EINECS(EC#)]

412-350-5
[Molecular Formula]

C4H10O2
[MDL Number]

MFCD00082586
[Molecular Weight]

90.12
[MOL File]

2163-42-0.mol
Chemical PropertiesBack Directory
[Melting point ]

-91 °C (lit.)
[Boiling point ]

123-125 °C/20 mmHg (lit.)
[density ]

1.015 g/mL at 25 °C(lit.)
[vapor density ]

3.2 (vs air)
[refractive index ]

n20/D 1.445(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

14.51±0.10(Predicted)
[color ]

Colourless
[Odor]

little to no odor
[BRN ]

1731422
[Henry's Law Constant]

6.9×102 mol/(m3Pa) at 25℃, Wang et al. (2017)
[Cosmetics Ingredients Functions]

SOLVENT
[Cosmetic Ingredient Review (CIR)]

2-METHYL-1,3-PROPANEDIOL (2163-42-0)
[InChI]

1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
[InChIKey]

QWGRWMMWNDWRQN-UHFFFAOYSA-N
[SMILES]

CC(CO)CO
[LogP]

-0.740 (est)
[CAS DataBase Reference]

2163-42-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Propane-1,3-diol, 2-methyl-(2163-42-0)
[EPA Substance Registry System]

2163-42-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

1
[TSCA ]

TSCA listed
[HS Code ]

2905.39.9000
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazardous Substances Data]

2163-42-0(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Propanediol, 2-methyl-, 1,3-diacetate-->1,3-Propanediol, 2-methylene-, 1-acetate-->Dimethyl 3-methylglutarate-->2-methylenepropane-1,3-diyl diacetate-->ACETOXYACETONE-->2-Methylene-1,3-propanediol-->Diethyl ethoxymethylenemalonate
[Preparation Products]

ZENIPLATIN-->1,4-Butanediol-->1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis--->Carbonic acid 2-methyl-1,3-propanediyl ester-->3-methyloxetane
Hazard InformationBack Directory
[Description]

2-Methyl-1,3-propanediol, MPD, is produced by Arco with an estimated capacity of about 7000 t/a. The process is designed for the production of 1,4-butanediol as an alternative to Reppe technology and the acetoxylation of butadiene. The raw material propylene oxide is isomerized to allyl alcohol in the fifirst step. Hydroformylation of allyl alcohol gives 4- hydroxybutanal (79 %) and 3-hydroxy-2-methylpropanal (11 %). The last step comprises hydrogenation of the n and iso intermediates to the corresponding diols.
[Uses]

β-Hydroxyisobutanol is used as a reagent in the synthesis of pyrazolo[1,5-a]pyridinecarbonyl-substituted spirocyclic piperidine ketals as inhibitors of HCV protein NS4B and of hepatitis C viral replication and their lack of cytotoxicity in human cells.
[Application]

2-Methyl-1,3-propanediol (MDP), with its branched and irregular structure, affords noncrystalline resins. It is used in polyesters for solvent- and waterborne coatings, imparting them lower viscosity than neopentyl glycol, easy processability, good flexibility, weatherability, and toughness. 2-Methyl-1,3-propanediol is used in paints with low content of volatile organic compounds (VOC) as two-component polyurethane coating and coil coating. It is also used in glass-fiber-reinforced unsaturated polyesters and gel coats. MPD is used for chemical modification of polyethylene terephthalate (PET) used in production of fibers and films. Low content of MPD in PET fibers improves the dye uptake and in films it improves clarity, toughness, elongation, and shrinkage. Plasticizers, elastomers, adhesives, cosmetics, and personal care products are other uses of MPD.
[Synthesis]

Equivalents of asymmetrized 2-methyl-1,3-propanediol are prepared by elaborating compounds obtained in optically active form via non-enzymatic asymmetric synthesis[1].
[References]

[1]Banfi, L., & Guanti, G. (1993). Asymmetrized 2-Methyl-1,3-propanediol and Its Equivalents: Preparation and Synthetic Applications. Synthesis, 1993(11), 1029–1056. https://doi.org/10.1055/s-1993-25991
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-1,3-PROPANEDIOL(2163-42-0)MS
2-METHYL-1,3-PROPANEDIOL(2163-42-0)1HNMR
2-METHYL-1,3-PROPANEDIOL(2163-42-0)13CNMR
2-METHYL-1,3-PROPANEDIOL(2163-42-0)IR1
2-METHYL-1,3-PROPANEDIOL(2163-42-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2163-42-0(sigmaaldrich)
[TCI AMERICA]

2-Methyl-1,3-propanediol,>98.0%(GC)(2163-42-0)
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