ChemicalBook--->CAS DataBase List--->18409-17-1

18409-17-1

18409-17-1 Structure

18409-17-1 Structure
IdentificationMore
[Name]

trans-2-Octen-1-ol
[CAS]

18409-17-1
[Synonyms]

(2E)-OCTEN-1-OL
2-OCTEN-1-OL
FEMA 3887
TRANS-2-OCTEN-1-OL
(2E)-2-Octen-1-ol
(E)-2-octenol
2-Octen-1-ol, (E)-
trans-1-oct-2-enol
trans-2-Octenol
(E)-oct-2-en-1-ol
octenol,(E)-2-octenol
2-Octen-1-ol, (2E)-
(E)-2-OCTEN-1-OL
[EINECS(EC#)]

242-288-2
[Molecular Formula]

C8H16O
[MDL Number]

MFCD00014057
[Molecular Weight]

128.21
[MOL File]

18409-17-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-31.5°C (estimate)
[Boiling point ]

85-87 °C/10 mmHg (lit.)
[density ]

0.843 g/mL at 25 °C(lit.)
[FEMA ]

3887
[refractive index ]

n20/D 1.4460(lit.)
[Fp ]

198 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

14.49±0.10(Predicted)
[color ]

colorless
[Odor]

at 1.00 % in dipropylene glycol. green citrus vegetable fatty
[biological source]

synthetic
[Odor Type]

green
[Water Solubility ]

Insoluble
[JECFA Number]

1370
[BRN ]

1720707
[InChI]

1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
[InChIKey]

AYQPVPFZWIQERS-VOTSOKGWSA-N
[SMILES]

[H]\C(CO)=C(\[H])CCCCC
[LogP]

2.82
[CAS DataBase Reference]

18409-17-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Octen-1-ol, (e)-(18409-17-1)
[EPA Substance Registry System]

18409-17-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes 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 .
S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[HS Code ]

29052990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Dichloromethane-->Lithium Aluminum Hydride-->Sodium hydride-->Triphenylphosphine-->Ethyl bromoacetate-->Hexanal
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Occurrence]

Reported present in apple, bilberry, cranberry, guava, orange, grape, melon, peas, strawberry jam, potato, roasted turkey and chicken, cognac, rum, tea, cloudberry, mushroom, kelp, malt, dried bonito and endive.
[Uses]

flavors and fragrances
[Definition]

ChEBI: (E)-oct-2-en-1-ol is a medium-chain primary fatty alcohol that is (E)-2-octene substituted by a hydroxy group at position 1. It has a role as a flavouring agent and a fragrance. It is an alkenyl alcohol, a medium-chain primary fatty alcohol and a primary allylic alcohol.
[Aroma threshold values]

Detection: 40 to 840 ppb; recognition: 100 ppb. Aroma characteristics at 1.0%: oily, slightly nutty, fatty waxy, stale creamy, chicken fatty with an old cucumber green nuance.
[Taste threshold values]

Taste characteristics at 1 to 5 ppm: green, slightly oxidized, oily and nutty, chicken fatty, goaty and creamy on dry out with a cucumber rind nuance.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 95, p. 2715, 1973 DOI: 10.1021/ja00789a068
Tetrahedron Letters, 19, p. 1145, 1978
[Biological Activity]

Odor at 1.0%', 'Taste at 1-5 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

trans-2-Octen-1-ol(18409-17-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Octen-1-ol, 98%(18409-17-1)
[Alfa Aesar]

trans-2-Octen-1-ol, 97%(18409-17-1)
[Sigma Aldrich]

18409-17-1(sigmaaldrich)
[TCI AMERICA]

trans-2-Octen-1-ol,>92.0%(GC)(18409-17-1)
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