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(±)-δ-Hexalactone

(±)-δ-Hexalactone structure

CAS No:
823-22-3
Formula:
C6H10O2
Chemical Name:
(±)-δ-Hexalactone
Synonyms:
2H-Pyran-2-one,tetrahydro-6-methyl-;Hexanoic acid,5-hydroxy-,lactone;Tetrahydro-6-methyl-2H-pyran-2-one;Hexanoic acid,5-hydroxy-,δ-lactone;5-Hydroxyhexanoic acid lactone;δ-Hexalactone;δ-Methyl-δ-valerolactone;δ-Caprolactone;6-Methylvalerolactone;δ-Hexanolide;(±)-5-Hexanolide;(RS)-δ-Hexalactone;(±)-δ-Hexalactone;NSC 134774;NSC 32863;6-Methyl-δ-valerolactone;6-Methyltetrahydropyran-2-one;5-Hexanolide;6-Methyl-2H-tetrahydropyran-2-one;δ-Hexanolactone;26991-67-3
Categories:
Cosmetic Ingredient > Perfuming

Description

δ-Hexalactone is a relatively weak-flavored chemical. The odor is described as coumarinic with coconut, cream and chocolate notes.

(R/S)-δ-Hexalactone is a volatile lactone found in fruits giving ripe produce their aroma.

Solid|colourless to pale yellowish liquid with a creamy, fruity, coconut odour

Delta-Hexanolactone is a delta-lactone.

(±)-δ-Hexalactone Basic Attributes

Molecular Weight：

114.14

Exact Mass：

114.14

BRN：

80501

EC Number：

212-511-8

NSC Number：

134774|32863

Characteristics

PSA：

26.3

XLogP3：

0.29

Appearance：

Solid

Density：

1.0162 g/cm³ @ Temp: 20 °C

Melting Point：

16-18 °C

Boiling Point：

101-102 °C @ Press: 11 Torr

Flash Point：

225 °F

Refractive Index：

1.431

Water Solubility：

Immiscible with water.

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 1449 companies from 3 notifications to the ECHA C&L Inventory.

(±)-δ-Hexalactone Use and Manufacturing

Methods of Manufacturing

From 1-position substituted cycloalkane oxidation derived.

Uses

GB 2760-1996 stipulates the permitted food spices.

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Method	Comments	Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-5	1084.	temperature ramp	30. m/0.25 mm/0.25 μm, 35. C @ 2. min, 4. K/min, 250. C @ 4. min	Peterson, D.G.Reineccius, G.A.Characterization of the volatile compounds that constitute fresh sweet cream butter aromaFlavour Fragr. J.2003, 18, 3, 215-220.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-5	1084.	temperature ramp	30. m/0.25 mm/0.25 μm, 35. C @ 2. min, 4. K/min, 250. C @ 4. min	Peterson, D.G.Reineccius, G.A.Determination of the aroma impact compounds in heated sweet cream butterFlavour Fragr. J.2003, 18, 4, 320-324.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-1	1049.	temperature ramp	50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; T_start: 40. C	Wu, P.Kuo, M.-C.Hartman, T.G.Rosen, R.T.Ho, C.-T.Free and glycosidically bound aroma compounds in pineapple (Ananas comosus L. Merr.)J. Agric. Food Chem.1991, 39, 1, 170-172.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-Wax	1818.	temperature ramp	30. m/0.25 mm/0.25 μm, 35. C @ 2. min, 6. K/min, 240. C @ 6. min	Peterson, D.G.Reineccius, G.A.Characterization of the volatile compounds that constitute fresh sweet cream butter aromaFlavour Fragr. J.2003, 18, 3, 215-220.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-Wax	1751.	temperature ramp	30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 3. K/min, 245. C @ 20. min	Ollé, D.Baumes, R.L.Bayonove, C.L.Lozano, Y.F.Sznaper, C.Brillouet, J.-M.Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivarsJ. Agric. Food Chem.1998, 46, 3, 1094-1100.

Computed Properties

Molecular Weight:114.14
XLogP3:1
Hydrogen Bond Acceptor Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:98.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

111957-98-3

201230-82-2

5145-01-7

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CAS No.: 823-22-3

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delta-Hexalactone

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Guide of (±)-δ-Hexalactone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Recommended Suppliers
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(±)-δ-Hexalactone

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