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Allyl phenyl ether

Allyl phenyl ether structure

CAS No:
1746-13-0
Formula:
C9H10O
Chemical Name:
Allyl phenyl ether
Synonyms:
Benzene,(2-propen-1-yloxy)-;Ether,allyl phenyl;Benzene,(2-propenyloxy)-;(2-Propen-1-yloxy)benzene;Allyl phenyl ether;(2-Propenyloxy)benzene;Phenyl allyl ether;Allyloxybenzene;3-Phenoxypropene;Phenyl 2-propenyl ether;Phenylpropenyl ether;3-Phenoxy-1-propene;1-(2-Propenyloxy)benzene;1-Phenoxy-2-propene;NSC 4746
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

Allyl phenyl ether Basic Attributes

Molecular Weight：

134.18

Exact Mass：

134.18

BRN：

1905622

EC Number：

217-125-3

UNII：

26S07OSX4O

NSC Number：

4746

DSSTox ID：

DTXSID6061943

HScode：

29093090

Characteristics

PSA：

9.2

XLogP3：

2.9

Appearance：

clear very slight yellow liquid

Density：

0.978 g/mL at 25 °C(lit.)

Melting Point：

90 °C @ Solvent: Water

Boiling Point：

191.7 °C

Flash Point：

145 °F

Refractive Index：

n 20/D 1.522(lit.)

Water Solubility：

insoluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.682mmHg at 25°C

Toxicity：

Abdominal-mouse LD50: 100 mg/kg; intravenous-mouse LD50: 63 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Peroxide Forming Chemical：

Allyl phenyl ether|D: Other compounds that may form peroxides|Moderate peroxides found in new commerically available containers|Kelly

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

safety instructions：

24/25

RTECS Number：

DA8575000

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)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

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, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 2 companies from 2 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：

phenyl 2-propen-1-yl ether

Allyl phenyl ether Use and Manufacturing

Uses

Used for synthesizing drug Xideshu and other fine chemical products

Manufacturing Info：

Benzene, (2-propen-1-yloxy)-: ACTIVE

Computed Properties

Molecular Weight:134.17
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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