ChemicalBook--->CAS DataBase List--->4312-99-6

4312-99-6

4312-99-6 Structure

4312-99-6 Structure
IdentificationMore
[Name]

1-Octen-3-one
[CAS]

4312-99-6
[Synonyms]

1-OCTEN-3-ONE
1-OCTEN-3-ONE AND 1-OCTEN-3-OL
AMYL VINYL KETONE
FEMA 3515
OCT-1-EN-3-ONE
VINYL AMYL KETONE
1-octene-3-one
-octen-3-one
Pentyl vinyl ketone
n-Amyl vinyl ketone~n-Pentyl vinyl ketone
1-OCTEN-3-ONE 50 WT. % IN 1-OCTEN-3-OL
1-Octen-3-one,97%
octenone,1-octen-3-one
n-amyl vinyl ketone
n-pentyl vinyl ketone
1-OCTEN-3-ONE (50% IN 1-OCTEN-3-OL)
1-OCTEN-3-ONE PURE
7-Octene-6-one
Vinylpentyl ketone
1-Octen-3-one, 97%, stab. with 0.1% BHA
[EINECS(EC#)]

224-327-5
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00036558
[Molecular Weight]

126.2
[MOL File]

4312-99-6.mol
Questions And AnswerBack Directory
[Preparation]

1-Octen-3-one was prepared by refluxing in ethyl acetate solvent for 16 hours using 1-octen-3-ol as a raw material and 2-iodobenzoic acid as an oxidant, with a yield of 79%.
Chemical PropertiesBack Directory
[Boiling point ]

174-182 °C
[density ]

0.843 g/mL at 25 °C
[FEMA ]

3515
[refractive index ]

n20/D 1.4359
[Fp ]

145 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 1.00 % in dipropylene glycol. herbal mushroom earthy musty dirty
[biological source]

synthetic
[Odor Type]

earthy
[JECFA Number]

1148
[BRN ]

1700905
[Stability:]

Light Sensitive
[InChI]

1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
[InChIKey]

KLTVSWGXIAYTHO-UHFFFAOYSA-N
[SMILES]

CCCCCC(=O)C=C
[LogP]

2.17
[CAS DataBase Reference]

4312-99-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Octen-3-one(4312-99-6)
[EPA Substance Registry System]

4312-99-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H317
[Precautionary statements ]

P261-P264-P270-P280-P301+P312-P302+P352
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
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 .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

1-Octen-3-one has a mushroom odor.
[Occurrence]

Reported found in cooked artichoke, cider, fish, matsutake, milk, peas, soya bean, mushrooms, potatoes, orange juice, tomato and passion fruit.
[Uses]

1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.
[Definition]

ChEBI: 1-Octen-3-one is an olefinic compound. It is functionally related to an acrylic acid.
[Aroma threshold values]

Detection: 0.05 to 4 ppb
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
[General Description]

1-Octen-3-one is also known as "mushroom alcohol". It is a C8 aliphatic volatile compound, a component of essential oils of various plants including Origanum vulgare, L. lopez-palacii, Phyllanthus emblica and Scutellaria barbata. 1-Octen-3-one is a vital food additive with a characteristic mushroom odor. Various studies also demonstrate the antimicrobial activity of this natural product.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Octen-3-one(4312-99-6)1HNMR
1-Octen-3-one(4312-99-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Octen-3-one, 97%, stab. with 0.1% BHA(4312-99-6)
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