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1,3-Diethoxy-2-propanol

1,3-Diethoxy-2-propanol structure

CAS No:
4043-59-8
Formula:
C7H16O3
Chemical Name:
1,3-Diethoxy-2-propanol
Synonyms:
2-Propanol,1,3-diethoxy-;1,3-Diethoxy-2-propanol;Glycerol α,γ-diethyl ether;Diethylin;Glycerol 1,3-bis(ethyl ether);Glycerol 1,3-diethyl ether;1,3-Glycerin diethyl ether;1,3-Diethyl glycerin ether;NSC 403841
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,3-Diethoxy-2-propanol Basic Attributes

Molecular Weight：

148.202

Exact Mass：

148.20

EC Number：

223-736-6

UNII：

2G6N5234UJ

NSC Number：

403841

DSSTox ID：

DTXSID20193443

HScode：

2909499000

Characteristics

PSA：

38.7

XLogP3：

0.54

Density：

0.9514 g/cm³ @ Temp: 20 °C

Boiling Point：

61.5-62 °C @ Press: 2 Torr

Flash Point：

80.9±23.2 °C

Refractive Index：

1.424

Safety Information

wgk germany：

WGK 3 highly water endangering

safety instructions：

S24/25

RTECS Number：

UB1476750

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:148.20
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:148.109944368
Monoisotopic Mass:148.109944368
Topological Polar Surface Area:38.7
Heavy Atom Count:10
Complexity:57.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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