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1-Octen-3-ol

1-Octen-3-ol structure

CAS No:
3391-86-4
Formula:
C8H16O
Chemical Name:
1-Octen-3-ol
Synonyms:
1-Octen-3-ol;Amyl vinyl carbinol;Vinyl amyl carbinol;3-Hydroxy-1-octene;n-Oct-1-en-3-ol;1-Vinylhexanol;Pentylvinylcarbinol;(±)-1-Octen-3-ol;dl-1-Octen-3-ol;NSC 87563;Primaverol;Morrilol;Moguchun;Morillol;Omega;50999-79-6
Categories:
Cosmetic Ingredient > Perfuming

Description

1-Octen-3-Ol is a colorless to yellow liquid with a mushroom, green, vegetable, and fatty odor. It is used in edible flavor blends such as mushroom, tomato, potato, milk, and nut.It is a secondary alcohol derived from 1-octene. It is an unsaturated alcohol that exists as two enantiomers, the (R)-(–)-form and the (S)-(+)-form. It is found most often as the racemic mixture.
Common Applications

cheese

lavender

potato

savoury

asp

Solid|Colourless oily liquid; powerful sweet earthy odour with strong herbaceous note reminiscent of lavender-lavadin, rose and hay

Oct-1-en-3-ol is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It has a role as an insect attractant, a volatile oil component and a fungal metabolite. It is an alkenyl alcohol and a fatty alcohol. It derives from a hydride of a 1-octene.

1-Octen-3-ol Basic Attributes

Molecular Weight：

128.21

Exact Mass：

128.21

BRN：

1744110

EC Number：

222-226-0

NSC Number：

87563

DSSTox ID：

DTXSID3035214

HScode：

29052990

Characteristics

PSA：

20.2

XLogP3：

2.64

Appearance：

Clear colorless to pale yellow Liquid

Density：

0.8324 g/cm³ @ Temp: 25 °C

Melting Point：

-49°C

Boiling Point：

55.0-55.5 °C @ Press: 5 Torr

Flash Point：

142 °F

Refractive Index：

1.438

Water Solubility：

Not miscible or difficult to mixin water.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 340 mg/kg LD50 dermal Rabbit 3300 mg/kg

Explosive limit：

0.9-8%(V)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2810

wgk germany：

hazard class code：

22-36/38-20/21/22

safety instructions：

26-36

RTECS Number：

RH3300000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H315-H319

GHS Classification：

|Warning|H302 (96.97%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 1784 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P304+P340, P312, P330, P370+P378, P403+P233, P403+P235, P405, and P501

Drug Information

MeSH Entry Terms：

1-octen-3-ol

1-Octen-3-ol Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of pentyl magnesium bromide and acrolein.

Uses

It is used in daily chemical and edible flavors, and can also be used to formulate artificial essential oils, recombinant essential oils or ester flavors. Mainly used to prepare mushroom and earthy flavors

Manufacturing Info：

1-Octen-3-ol: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:69
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Octen-3-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-Octen-3-ol

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