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2-Propylphenol

2-Propylphenol structure

CAS No:
644-35-9
Formula:
C9H12O
Chemical Name:
2-Propylphenol
Synonyms:
Phenol,2-propyl-;Phenol,o-propyl-;2-Propylphenol;o-Propylphenol;2-n-Propylphenol;o-n-Propylphenol;NSC 65646
Categories:
Chemical Reagents > Organic Reagents

Description

CLEAR ORANGE TO SLIGHTLY PURPLE LIQUID o-Propylphenol has a phenolic odor.

Liquid|Colourless oily liquid, phenolic odour

2-propylphenol is a member of the class of phenols that is phenol which is substituted by a propyl group at position 2. It has a role as a flavouring agent and a plant metabolite.

2-Propylphenol Basic Attributes

Molecular Weight：

136.19

Exact Mass：

136.19

BRN：

1363932

EC Number：

211-415-3

UNII：

333R6F6T3N

NSC Number：

65646

DSSTox ID：

DTXSID9047702

HScode：

29071900

Characteristics

PSA：

20.2

XLogP3：

2.93

Appearance：

Liquid

Density：

1.000 g/cm³ @ Temp: 16 °C

Melting Point：

7 °C

Boiling Point：

220 °C

Flash Point：

200 °F

Refractive Index：

n20/D 1.527(lit.)

Water Solubility：

1.664g/L(25 ºC)

Vapor Pressure：

0.09 mmHg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3145 8/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-28-36/37/39-45-36

RTECS Number：

SM8600000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 305 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-propylphenol

2-Propylphenol Use and Manufacturing

Manufacturing Info：

Phenol, 2-propyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

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