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3-Propylphenol

3-Propylphenol structure

3-Propylphenol 

structure
  • CAS No:

    621-27-2

  • Formula:

    C9H12O

  • Chemical Name:

    3-Propylphenol

  • Synonyms:

    Phenol,3-propyl-;Phenol,m-propyl-;3-Propylphenol;m-Propylphenol;3-n-Propylphenol;NSC 46998

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Liquid

3-Propylphenol Basic Attributes

136.191

136.19

210-675-5

593R721CIC

46998

DTXSID10211145

2907199090

Characteristics

20.23000

3.01

0.9877 g/cm3 @ Temp: 20 °C

26 °C

228 °C

108.8±8.8 °C

1.529

Soluble in water.

Safety Information

III

UN 3145

3

R20/21/22

S26-S36-S37-S39

SM8594000

C,Xn

P261-P280-P305 + P351 + P338-P310

H302 + H312-H314-H335

|Danger|H302+H312 (56.72%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 67 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1-hydroxy-3-n-propylbenzene

3-Propylphenol Use and Manufacturing

Phenol, 3-propyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:136.19
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:90.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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