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4-Propylphenol

4-Propylphenol structure

CAS No:
645-56-7
Formula:
C9H12O
Chemical Name:
4-Propylphenol
Synonyms:
Phenol,4-propyl-;Phenol,p-propyl-;4-Propylphenol;p-Propylphenol;4-n-Propylphenol;p-Hydroxypropylbenzene;Dihydrochavicol;p-n-Propylphenol;p-Hydroxy-n-propylbenzene;NSC 65647;Hydrochavicol
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

CLEAR YELLOW LIQUID

Solid|Colourless liquid, phenolic odour

4-Propylphenol is an alkylbenzene.

4-Propylphenol Basic Attributes

Molecular Weight：

136.19

Exact Mass：

136.19

BRN：

1363429

EC Number：

211-446-2

UNII：

H27VG833JY

NSC Number：

65647

DSSTox ID：

DTXSID9022100

HScode：

29071900

Characteristics

PSA：

20.2

XLogP3：

3.2

Appearance：

Clear yellow Liquid

Density：

1.009 g/cm³ @ Temp: 20 °C

Melting Point：

22 °C

Boiling Point：

232.6 °C

Flash Point：

232 °F

Refractive Index：

1.529

Water Solubility：

1.427g/L(25 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.04 mmHg

Henrys Law Constant：

1.14e-06 atm-m3/mole

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：

SM8610000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H314 (91.14%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 1444 companies from 8 notifications to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

4-n-Propylphenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-propylphenoxy)oxane-2-carboxylic acid.

MeSH Entry Terms：

4-propylphenol

4-Propylphenol Use and Manufacturing

Uses

Intermediates of Liquid Crystals

Manufacturing Info：

Phenol, 4-propyl-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:136.19
XLogP3:3.2
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:82.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 645-56-7

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Guide of 4-Propylphenol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Propylphenol

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