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7-Methyl-2H-1,5-benzodioxepin-3(4H)-one

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one structure

CAS No:
28940-11-6
Formula:
C10H10O3
Chemical Name:
7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
Synonyms:
2H-1,5-Benzodioxepin-3(4H)-one,7-methyl-;7-Methyl-2H-1,5-benzodioxepin-3(4H)-one;Calone 1951;Watermelon ketone;Calone;7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one;35783-05-2
Categories:
Cosmetic Ingredient > Perfuming

Description

Watermelon ketone is fragrance chemical compound with special odorant which has been widely used in the fragrance industry, extracted from patent CN 103058984 A.

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one Basic Attributes

Molecular Weight：

178.18500

Exact Mass：

178.18

EC Number：

249-320-4

UNII：

0NQ136C313

DSSTox ID：

DTXSID0047165

HScode：

2932999099

Characteristics

PSA：

35.53000

XLogP3：

1.9

Appearance：

white crystalline powder

Density：

1.196 g/cm3

Melting Point：

38-39 °C @ Solvent: Pentane

Boiling Point：

71-82 °C @ Press: 0.01 Torr

Flash Point：

129.3ºC

Refractive Index：

1.538

Vapor Pressure：

0.000831mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (96.55%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1829 companies from 8 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

calone

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one Use and Manufacturing

Uses

Calone or methylbenzodioxepinone, trade-named Calone 1951, also known in the industry as "watermelon ketone", was discovered by Pfizer in 1966. It is used to give the olfactory impression of a fresh seashore through the marine and ozone nuances. Calone is similar in structure of certain alicyclic C11-hydrocarbons like ectocarpene, excreted by some species of brown algae as pheromones.Calone is an unusual odorant which has an intense "sea-breeze" note with slight floral overtones. It has been used as a scent component since the 1980s for its watery, fresh, ozone accords, and as a more dominant note in several perfumes of the marine trend, beginning in the 1990s.

Air care products

Production

< 25,000 lb

Manufacturing Info：

2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Computed Properties

Molecular Weight:178.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:35.5
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one

SDS

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