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2-Ethyl-1,3-propanediol

2-Ethyl-1,3-propanediol structure

CAS No:
2612-29-5
Formula:
C5H12O2
Chemical Name:
2-Ethyl-1,3-propanediol
Synonyms:
1,3-Propanediol,2-ethyl-;2-Ethyl-1,3-propanediol;1,1-Dimethylolpropane;2-Ethylpropan-1,3-diol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Liquid

2-Ethyl-1,3-propanediol Basic Attributes

Molecular Weight：

104.14758

Exact Mass：

104.15

EC Number：

220-038-3

UNII：

9YQ4707ATI

DSSTox ID：

DTXSID7044897

HScode：

2905399090

Characteristics

PSA：

40.5

XLogP3：

-0.16

Appearance：

Liquid

Density：

1.0±0.1 g/cm3

Melting Point：

50.86°C (estimate)

Boiling Point：

86-87 °C @ Press: 0.5 Torr

Flash Point：

105.3±13.0 °C

Refractive Index：

1.443

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Ethyl-1,3-propanediol Use and Manufacturing

Uses

Intermediates

Plastic and rubber products not covered elsewhere

Manufacturing Info：

All other basic organic chemical manufacturing|1,3-Propanediol, 2-ethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:104.15
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:33.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes