ChemicalBook--->CAS DataBase List--->4798-44-1

4798-44-1

4798-44-1 Structure

4798-44-1 Structure
IdentificationMore
[Name]

1-Hexen-3-ol
[CAS]

4798-44-1
[Synonyms]

1-HEXEN-3-OL
1-HEXENE-3-OL
FEMA 3608
N-PROPYL VINYL CARBINOL
-hexen-3-ol
3-Hydroxy-1-hexene
Propylvinylcarbinol
1-HEXEN-3-OL 98+%
1-hexenol,1-hexen-3-ol
1-HEXEN-3-OL 98%
1-Propylallyl alcohol
1-Vinylbutanol
[EINECS(EC#)]

225-355-0
[Molecular Formula]

C6H12O
[MDL Number]

MFCD00004581
[Molecular Weight]

100.16
[MOL File]

4798-44-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID
[Melting point ]

22.55°C (estimate)
[Boiling point ]

134-135 °C (lit.)
[density ]

0.834 g/mL at 25 °C(lit.)
[FEMA ]

3608
[refractive index ]

n20/D 1.428(lit.)
[Fp ]

95 °F
[form ]

clear liquid
[pka]

14.49±0.20(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. metallic green earthy
[biological source]

synthetic
[Odor Type]

green
[Water Solubility ]

INSOLUBLE
[JECFA Number]

1151
[BRN ]

1720166
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
[InChIKey]

BVOSSZSHBZQJOI-UHFFFAOYSA-N
[SMILES]

CCCC(O)C=C
[LogP]

1.58
[CAS DataBase Reference]

4798-44-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Hexen-3-ol(4798-44-1)
[EPA Substance Registry System]

4798-44-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2905.29.9000
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Hexen-3-ol(4798-44-1).msds
Questions And AnswerBack Directory
[Description]

1-hexen-3-ol belongs to the family of allylic alcohols which contain an alcohol group attached to the allyl functional group. It is naturally found in banana, French fried potato, mustard, black tea, salted and pickled plums, dill herb, cherimoya, and scallop. It has an ethereal, run like odor.
It is used as a flavor agent in foods (e.g. condiments, gravies, meat products, seasoning flavors, snack foods, and soups).
[References]

[1] George A. Burdock (2016) Fenaroli’s Handbook of Flavoring Ingredients, Sixth Edition
[2] George A. Burdock (1997) Encyclopedia of Food and Color Additives, Volume 1
Hazard InformationBack Directory
[Chemical Properties]

1-Hexen-3-ol has a meat-like odor
[Chemical Properties]

CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID
[Uses]

flavors and fragrances
[Definition]

ChEBI: 1-Hexen-3-ol is a secondary alcohol.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Hexen-3-ol(4798-44-1)MS
1-Hexen-3-ol(4798-44-1)1HNMR
1-Hexen-3-ol(4798-44-1)13CNMR
1-Hexen-3-ol(4798-44-1)IR1
1-Hexen-3-ol(4798-44-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Hexen-3-ol, 98%(4798-44-1)
[Sigma Aldrich]

4798-44-1(sigmaaldrich)
[TCI AMERICA]

1-Hexen-3-ol,>95.0%(GC)(4798-44-1)
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