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1-Methoxynaphthalene

1-Methoxynaphthalene structure

CAS No:
2216-69-5
Formula:
C11H10O
Chemical Name:
1-Methoxynaphthalene
Synonyms:
Naphthalene,1-methoxy-;1-Methoxynaphthalene;1-Naphthyl methyl ether;Methyl 1-naphthyl ether;α-Methoxynaphthalene;α-Naphthyl methyl ether;1-Naphthol methyl ether;NSC 5530
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear light yellow to brown liquid

1-Methoxynaphthalene Basic Attributes

Molecular Weight：

158.2

Exact Mass：

158.20

BRN：

7748884

EC Number：

218-696-1

UNII：

DG2EOL57LF

NSC Number：

5530

DSSTox ID：

DTXSID5062263

HScode：

29093090

Characteristics

PSA：

9.2

XLogP3：

3.6

Density：

1.097 g/cm³ @ Temp: 20 °C

Melting Point：

<-10 °C

Boiling Point：

269 °C

Flash Point：

>230 °F

Refractive Index：

1.604

Water Solubility：

H2O: immiscible

Safety Information

Hazard category：

Transport codes：

UN 3082 9/PG III

wgk germany：

safety instructions：

23-24/25

RTECS Number：

QJ9465500

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Bioconcentration：

162.18

Drug Information

Biological Half-Life：

2.45 Days

MeSH Entry Terms：

1-methoxynaphthalene

1-Methoxynaphthalene Use and Manufacturing

Uses

It is used as dye intermediate and fragrance. Because of the weak aroma of 1-methoxynaphthalene, 2-methoxynaphthalene is mostly used.

Manufacturing Info：

Naphthalene, 1-methoxy-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.20
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:158.073164938
Monoisotopic Mass:158.073164938
Topological Polar Surface Area:9.2
Heavy Atom Count:12
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Methoxynaphthalene1-naphthol methyl ether

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