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Menthofuran

Menthofuran structure

CAS No:
494-90-6
Formula:
C10H14O
Chemical Name:
Menthofuran
Synonyms:
Benzofuran,4,5,6,7-tetrahydro-3,6-dimethyl-;p-Mentha-3,8-diene,3,9-epoxy-;4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran;Menthofuran;Menthofurane;NSC 315249;3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran;3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran;59553-66-1
Categories:
Cosmetic Ingredient > Perfuming

Description

CLEAR LIGHT YELLOW LIQUID Menthofuran occurs as the (+) isomer, in peppermint essential oils. It is a colorless liquid with a minty odor. 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran has an odor very similar to that of menthol.

Bluish liquid, odour similar to that of menthol

Menthofuran is a monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has a role as a nematicide and a plant metabolite. It is a member of 1-benzofurans and a monoterpenoid.

Menthofuran Basic Attributes

Molecular Weight：

150.22

Exact Mass：

150.22

EC Number：

207-795-5

NSC Number：

315249

DSSTox ID：

DTXSID9025534

HScode：

29329990

Characteristics

PSA：

13.1

XLogP3：

4.02

Appearance：

Clear light yellow Liquid

Density：

0.972 g/cm³ @ Temp: 15 °C

Melting Point：

86 °C

Boiling Point：

80 °C

Flash Point：

168 °F

Refractive Index：

1.490

Water Solubility：

insoluble in water; soluble in oils

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

DF7995750

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 1631 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P264, P270, P281, P301+P310, P308+P313, P314, P321, P330, P405, and P501

Drug Information

MeSH Entry Terms：

menthofuran

Menthofuran Use and Manufacturing

Uses

Menthofuran is a toxin found in vairety of essential oils and is believed to be the compound responsible for the potentially fatal effects of Pennyroyal. Menthofuran is known to produce hepatotoxic intermedaites via oxidation process.

Manufacturing Info：

Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:150.22
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:13.1
Heavy Atom Count:11
Complexity:144
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 494-90-6

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Guide of Menthofuran

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Menthofuran

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