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ε-Decalactone

ε-Decalactone structure

CAS No:
5579-78-2
Formula:
C10H18O2
Chemical Name:
ε-Decalactone
Synonyms:
2-Oxepanone,7-butyl-;Decanoic acid,6-hydroxy-,ε-lactone;7-Butyl-2-oxepanone;ε-Decalactone;(±)-ε-Decalactone;6-Decanolide;80445-36-9
Categories:
Cosmetic Ingredient > Perfuming

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Description

ε-Decalactone has a sweet cream, tonka bean odor.

colourless to pale yellow liquid

6-Decanolide is a lactone.

ε-Decalactone Basic Attributes

Molecular Weight：

170.25

Exact Mass：

170.25

EC Number：

226-963-9

DSSTox ID：

DTXSID8047551

Characteristics

PSA：

26.3

XLogP3：

2.66240

Appearance：

colourless to pale yellow liquid

Density：

0.933g/cm3

Boiling Point：

108 °C @ Press: 1.8 Torr

Flash Point：

>230 °F

Refractive Index：

1.439

Water Solubility：

393.8 mg/L @ 25 °C (est)

Toxicity：

Oral-Mouse LD50: 5252 mg/kg

Flammability characteristics：

Thermal decomposition spicy irritating smoke

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

RQ6670000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 126 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH Entry Terms：

epsilon-decalactone

ε-Decalactone Use and Manufacturing

Uses

Spices for food.

Manufacturing Info：

2-Oxepanone, 7-butyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:170.25
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:143
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ε-Decalactone

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

ε-Decalactone

SDS

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