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δ-Dodecalactone

δ-Dodecalactone structure

CAS No:
713-95-1
Formula:
C12H22O2
Chemical Name:
δ-Dodecalactone
Synonyms:
2H-Pyran-2-one,6-heptyltetrahydro-;Dodecanoic acid,5-hydroxy-,δ-lactone;6-Heptyltetrahydro-2H-pyran-2-one;δ-Dodecalactone;5-Hydroxydodecanoic acid δ-lactone;5-Hydroxydodecanoic acid lactone;δ-Heptyl-δ-valerolactone;5-Dodecanolide;AI 3-36030;δ-Dodecanolactone;(±)-δ-Dodecalactone;(R,S)-δ-Dodecalactone;δ-Dodecane lactone;3051-22-7
Categories:
Cosmetic Ingredient > Perfuming

Description

Liquid delta-Dodecalactone is a colorless to slightly yellowish liquid with a powerful fruity, peach-like, and oily odor. It may be produced in the same way asδ-decalactone. Similarly to δ-decalactone, it is mainly used in cream and butter flavors. δ-Dodecalactone has a powerful, fresh, coconut-fruity, oily odor. On dilution the odor is butter-like. At low levels, it has a peach-, pear-, plum-like flavor.

Liquid|colourless to yellow liquid with a coconut-fruity odour, butter-like on dilution

Xi-5-Dodecanolide is a delta-lactone.

δ-Dodecalactone Basic Attributes

Molecular Weight：

198.3

Exact Mass：

198.30

BRN：

1282749

EC Number：

211-932-4

DSSTox ID：

DTXSID9047596

Color/Form：

COLORLESS TO VERY PALE STRAW-YELLOW LIQUID; VISCOUS

HScode：

29322090

Characteristics

PSA：

26.3

XLogP3：

3.6

Appearance：

Liquid

Density：

0.9536 g/cm³ @ Temp: 20 °C

Melting Point：

−12 °C(lit.)

Boiling Point：

126 °C @ Press: 1 Torr

Flash Point：

>230 °F

Refractive Index：

1.448

Water Solubility：

Not miscible or difficult to mix in water.SOL IN ETHANOL; POORLY SOL IN PROPYLENE GLYCOL

Storage Conditions：

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Odor：

POWERFUL, FRESH-FRUIT, OILY ODOR

Taste：

CREAMY TASTE

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

UQ0850000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

FDA Requirements：

121.1164; TOLERANCE 10 PPM IN MARGARINE

GHS Classification：

Not Classified

δ-Dodecalactone Use and Manufacturing

Methods of Manufacturing

It is formed by lactonization of 5-hydroxylauric acid.

Uses

Used in various fruity, apricot, honey and cheese, cream chocolate, dairy products

Air care products

Production

< 25,000 lb|(1972) NOT PRODUCED IN THE US|(1975) NOT PRODUCED IN THE US

Manufacturing Info：

2H-Pyran-2-one, 6-heptyltetrahydro-: ACTIVE|BAKED GOODS, 0.06 PPM; GELATINS & PUDDINGS, 0.06 PPM; TOPPINGS, 10 PPM.|FEMA NUMBER 2401

Analytic Methods：

IDENTIFICATION OF GAMMA- AND DELTA-LACTONES IN PEACH ESSENCE USING GLC.

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|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:198.30
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:166
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of δ-Dodecalactone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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δ-Dodecalactone

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