ChemicalBook--->CAS DataBase List--->698-76-0

698-76-0

698-76-0 Structure

698-76-0 Structure
IdentificationMore
[Name]

5-Hydroxyoctanoic acid lactone
[CAS]

698-76-0
[Synonyms]

5-hydroxyoctanoic acid lactone
5-octanolide
5-propyl-5-hydroxypentanoic acid lactone
DELTA-OCTALACTONE
DELTA-OCTANOLACTONE
FEMA 3214
FEMA NO 3214
OCTALACTONE, DELTA-
OCTANOLACTONE, DELTA-
TETRAHYDRO-6-PROPYL-2H-PYRAN-2-ONE
.delta.-Octanolide
2H-Pyran-2-one, tetrahydro-6-propyl-
5-Hydroxyoctanoic acid delta-lactone
5-hydroxy-octanoicacidelta-lactone
5-hydroxy-octanoicacilactone
5-octanolide (delta-octalactone)
6-Propyltetrahydro-2H-pyran-2-one
beta-Octalactone
delta-Propylvalerolactone
Octanoic acid, 5-hydroxy-, delta-lactone
[EINECS(EC#)]

211-820-5
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD00144051
[Molecular Weight]

142.2
[MOL File]

698-76-0.mol
Chemical PropertiesBack Directory
[Melting point ]

-14°C
[Boiling point ]

238°C
[density ]

1,002 g/cm3
[vapor pressure ]

1.5-2.7Pa at 20-25℃
[FEMA ]

3214
[refractive index ]

1.4550
[Fp ]

125°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

neat
[color ]

Colourless
[Specific Gravity]

1.00
[Odor]

at 10.00 % in dipropylene glycol. sweet fatty coconut tonka tropical dairy
[Odor Type]

coconut
[Water Solubility ]

Not miscible or difficult to mix in water.
[JECFA Number]

228
[BRN ]

111515
[Stability:]

Hygroscopic
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
[InChIKey]

FYTRVXSHONWYNE-UHFFFAOYSA-N
[SMILES]

O1C(CCCC1=O)CCC
[LogP]

1.7-1.8 at 20℃
[Surface tension]

70.3mN/m at 1g/L and 20℃
[CAS DataBase Reference]

698-76-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-pyran-2-one, tetrahydro-6-propyl-(698-76-0)
[EPA Substance Registry System]

698-76-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

UQ1355500
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
[Toxicity]

LD50 orl-rat: >5 g/kg FCTOD7 20,783,80
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Hydroxycaprylic acid
Hazard InformationBack Directory
[Description]

May be synthesized from 5-hydroxyoctanoic acid by reduction with NaBH4 in water; by microbiological reduction of the corresponding keto acid; from 5-hydroxyoctanoic methyl amide by alkaline saponification, using Ba(OH)2.
[Chemical Properties]

Δ-Octalactone has a sweet, fatty, coconut, tropical, dairy odor.
[Occurrence]

Reported found as a volatile flavor component in coconut oil, butterfat, milk fat, the essence of the Blenheim variety of apricot, and pineapple, yellow passion fruit, cranberry, currant buds, papaya, peach, raspberry, strawberry, bilberry, plum, tomato, many cheeses, chicken fat, cooked beef, pork and mutton, rum, sherry, white wine, tea, coconut products, passion fruit, mango, prickly pear, loquat, mountain papaya, nectarine, cape gooseberry and rooibus tea (Aspalathus linearis).
[Uses]

delta-Octanolactone is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
[Definition]

ChEBI: Delta-octanolide is a delta-lactone.
[Preparation]

From 5-hydroxyoctanoic acid by reduction with NaBH4 in water; by microbiological reduction of the corresponding keto acid; from 5-hydroxyoctanoic methyl amide by alkaline saponification, using Ba(OH)2.
[Taste threshold values]

Taste characteristics at 10 ppm: coconut, sweet, creamy, lactonic and fruity with a milky and oily depth.
[Safety Profile]

Low toxicity by ingestion and skincontact. A skin irritant. When heated to decomposition itemits acrid smoke and irritating vapors.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Hydroxyoctanoic acid lactone(698-76-0)MS
5-Hydroxyoctanoic acid lactone(698-76-0)13CNMR
5-Hydroxyoctanoic acid lactone(698-76-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

delta-Octanolactone, 98%(698-76-0)
[TCI AMERICA]

delta-Octanolactone,>98.0%(GC)(698-76-0)
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