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3-Ethoxy-1,2-propanediol

3-Ethoxy-1,2-propanediol structure

CAS No:
1874-62-0
Formula:
C5H12O3
Chemical Name:
3-Ethoxy-1,2-propanediol
Synonyms:
1,2-Propanediol,3-ethoxy-;3-Ethoxy-1,2-propanediol;Glycerol α-monoethyl ether;Glycerol α-ethyl ether;Glycerol 1-ethyl ether;Glycerin 1-ethyl ether;NSC 227880;98975-35-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Ethoxy-1,2-propanediol Basic Attributes

Molecular Weight：

120.15

Exact Mass：

120.15

EC Number：

217-503-8

NSC Number：

227880

HScode：

2909499000

Characteristics

PSA：

49.7

XLogP3：

-0.77

Density：

1.0947 g/cm³ @ Temp: 20 °C

Boiling Point：

160 °C @ Press: 100 Torr

Flash Point：

110°C

Refractive Index：

1.444

Vapor Pressure：

0.00638mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36-36/37/38

safety instructions：

26-26-37/39

RTECS Number：

TY6400000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:120.15
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:120.078644241
Monoisotopic Mass:120.078644241
Topological Polar Surface Area:49.7
Heavy Atom Count:8
Complexity:46.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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