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105-21-5

105-21-5 Structure

105-21-5 Structure
IdentificationMore
[Name]

4-Heptanolide
[CAS]

105-21-5
[Synonyms]

(+/-)-4-HEPTANOLIDE
4-HEPTANOLIDE
4-Hydroxyheptanoic acid gamma-lactone
4-n-propyl-4-hydroxybutanoic acid lactone
(+/-)-DIHYDRO-5-PROPYL-2(3H)-FURANONE
FEMA 2539
GAMMA-ENANTHONOLACTONE
GAMMA-HEPTALACTONE
GAMMA-HEPTANOIC LACTONE
GAMMA-HEPTANOLACTONE
(+/-)-GAMMA-PROPYL-GAMMA-BUTYROLACTONE
G-HEPTALACTONE
HEPTALACTONE, GAMMA
HEPTANOIC-G-LACTONE
4-hydroxyheptanoic
4-Hydroxyheptanoic acid lactone
4-hydroxyheptanoicacidlactone
5-Propyldihydro-2(3H)-furanone
dihydro-5-propyl-2(3h)-furanon
gamma heptalatone
[EINECS(EC#)]

203-279-9
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD00036498
[Molecular Weight]

128.17
[MOL File]

105-21-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to pale yellow liquid
[Boiling point ]

61-62 °C2 mm Hg(lit.)
[density ]

0.999 g/mL at 25 °C(lit.)
[vapor pressure ]

2.8hPa at 20℃
[FEMA ]

2539
[refractive index ]

n20/D 1.442(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 10.00 % in dipropylene glycol. sweet coconut nutty caramel tonka hay
[biological source]

synthetic
[Odor Type]

coconut
[Water Solubility ]

23g/L at 20℃
[JECFA Number]

225
[BRN ]

109569
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
[InChIKey]

VLSVVMPLPMNWBH-UHFFFAOYSA-N
[SMILES]

CCCC1CCC(=O)O1
[LogP]

1 at 20℃
[Uses]

Food additive.
[CAS DataBase Reference]

105-21-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2(3H)-furanone, dihydro-5-propyl-(105-21-5)
[EPA Substance Registry System]

105-21-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315
[Precautionary statements ]

P264-P280-P302+P352-P362+P364-P332+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the skin.
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

LU3697000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Irrit. 2
[Toxicity]

rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 703, 1982.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Heptenoic acid
Hazard InformationBack Directory
[Hazard]

A skin irritant.
[Description]

y-Heptalactone has a sweet, nut-like, caramel odor and a malty, caramel, sweet, herbaceous taste. This substance may be obtained in low yields by hydrogenation of ethyl P-furylacrylate;1 by lactoniation of heptenoic acid; also by condensation of methylacrylate butyl alcohol using a catalyst.
[Chemical Properties]

Clear colorless to pale yellow liquid
[Chemical Properties]

γ-Heptalactone has a sweet, coconut-like, caramel and a malty, caramel, sweet odor, and herbaceous taste.
[Occurrence]

Reported found in green tea, asparagus, beer, strawberry, peach and beef
[Definition]

ChEBI: Dihydro-5-propyl-2(3H)-furanone is a lactone.
[Preparation]

Obtained in low yields by hydrogenation of ethyl β-furylacrylate; by lactoniation of heptonic acid; also by condensation of methylacrylate butyl alcohol using a catalyst.
[Aroma threshold values]

Detection: 400 ppb.
[Taste threshold values]

Taste characteristics at 15 ppm: sweet, lactonic, creamy, coconut and coumarin, with milky and tobacco Nuances.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 99, p. 7360, 1977 DOI: 10.1021/ja00464a048
[General Description]

γ-Heptalactone is a volatile flavor compound found in mangoes, strawberries, pineapples as well as in some dairy products. It is used as a flavoring agent in the food and cosmetic industry.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Heptanolide(105-21-5)MS
4-Heptanolide(105-21-5)1HNMR
4-Heptanolide(105-21-5)IR1
4-Heptanolide(105-21-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

gamma-Heptalactone(105-21-5)
[Sigma Aldrich]

105-21-5(sigmaaldrich)
[TCI AMERICA]

gamma-Heptanolactone,>98.0%(GC)(105-21-5)
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