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2-Allylphenol

2-Allylphenol structure

CAS No:
1745-81-9
Formula:
C9H10O
Chemical Name:
2-Allylphenol
Synonyms:
Phenol,2-(2-propen-1-yl)-;Phenol,o-allyl-;Phenol,2-(2-propenyl)-;2-(2-Propen-1-yl)phenol;2-Allylphenol;o-Allylphenol;2-(2-Propenyl)phenol;NSC 1538;o-(2-Propenyl)phenol;Yinguo;6-(Prop-2-en-1-yl)phenol
Categories:
Chemical Reagents > Organic Reagents

Description

clear colourless to light yellow liquidChEBI: A member of the class of phenols that is phenol carrying an allyl group at position 2.

2-allylphenol is a member of the class of phenols that is phenol carrying an allyl group at position 2. It has a role as an antifungal agrochemical.

2-Allylphenol Basic Attributes

Molecular Weight：

134.18

Exact Mass：

134.18

BRN：

742121

EC Number：

217-119-0

UNII：

O04F145ZJZ

NSC Number：

1538

DSSTox ID：

DTXSID3022164

HScode：

29071900

Characteristics

PSA：

20.2

XLogP3：

2.12070

Appearance：

clear colorless to light yellow liquid.

Density：

1.0161 g/cm³ @ Temp: 20 °C

Melting Point：

-6 °C

Boiling Point：

220 °C

Flash Point：

192 °F

Refractive Index：

n 20/D 1.546(lit.)

Water Solubility：

H2O: 7 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0783mmHg at 25°C

Toxicity：

Celiac-mouse LDL0: 256 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2923 8/PG 3

wgk germany：

hazard class code：

21/22-34-36/38

safety instructions：

26-36/37/39-45-24/25-23

RTECS Number：

SJ3850000

Marks：

C,Xi

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301 + H311-H314

GHS Classification：

|Danger|H301 (75.71%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 70 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2-allylphenol

2-Allylphenol Use and Manufacturing

Uses

2-allylphenol is a high-purity monomer, which can be used as an intermediate in the pharmaceutical industry, for example, for the production of apreloprol, a β-blocker allyl can vulcanize polymers , It can also be used to produce allyl substituted phenolic and polyester resins. Other uses include the production of silane, which can be polymerized into polyolefins through allyl groups, such as oxyphosphazene copolymers that can be used in fire-resistant foams

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Phenol, 2-(2-propen-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:134.17
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:109
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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