2-Methyl-2-propyl-1,3-propanediol
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2-Methyl-2-propyl-1,3-propanediol
structure -
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CAS No:
78-26-2
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Formula:
C7H16O2
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Chemical Name:
2-Methyl-2-propyl-1,3-propanediol
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Synonyms:
1,3-Propanediol,2-methyl-2-propyl-;2-Methyl-2-propyl-1,3-propanediol;NSC 26233;2-Propyl-2-methyl-1,3-propanediol;2-Methyl-2-(1-propyl)-1,3-propanediol
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CAS No:
2-Methyl-2-propyl-1,3-propanediol Basic Attributes
132.2
132.20
201-099-5
YLM5KRU0P4
26233
DTXSID9058814
Safety Information
NONH for all modes of transport
1
36-22
22-24/25-39-26
TY9386000
Xn
P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 18 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methyl-2-propyl-1,3-propanediol Use and Manufacturing
This product is obtained by catalytic hydrogenation of 2-methyl-2-pentenal to obtain 2-methylpentanal, and then undergoing methylolation and reduction with formaldehyde. The 2-methyl-2-pentenal hydrogenation reaction is conducted at 100°C and 1.3-1.5 MPa with a yield of 80%. After 2-methylvaleraldehyde was obtained, it was added to 36% formaldehyde, and sodium hydroxide solution was added dropwise at room temperature. The reaction was exothermic, and the temperature was naturally raised to 70°C, then heated to 90°C, added for 1 hour, cooled to 60°C and allowed to stand for separation. The upper layer liquid was washed with water, the washing liquid was combined with the lower layer liquid, and extracted with benzene. The extract and the upper layer liquid were combined, and after the benzene was recovered by distillation, vacuum distillation was conducted to collect 160°C (14.7kPa) fraction, which was 2-methyl-2-propyl-1, 3-propanediol, with a yield of 93%.
A intermediate in the synthesis of Carisoprodol
1,3-Propanediol, 2-methyl-2-propyl-: ACTIVE
Computed Properties
Molecular Weight:132.20
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:132.115029749
Monoisotopic Mass:132.115029749
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:67.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Methyl-2-propyl-1,3-propanediol
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