ChemicalBook CAS DataBase List 3391-86-4

3391-86-4

Name	1-Octen-3-ol
CAS	3391-86-4
EINECS(EC#)	222-226-0
Molecular Formula	C8H16O
MDL Number	MFCD00004589
Molecular Weight	128.21
MOL File	3391-86-4.mol

Chemical Properties

Appearance	Clear colorless to pale yellow liquid
Melting point	-49°C
Boiling point	84-85 °C/25 mmHg (lit.)
density	0.837 g/mL at 20 °C
vapor pressure	1 hPa (20 °C)
FEMA	2805
refractive index	n20/D 1.437(lit.)
Fp	142 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Acetonitrile (Slightly), Chloroform, Ethyl Acetate (Slightly)
form	Liquid
pka	14.63±0.20(Predicted)
color	Clear colorless to pale yellow
Specific Gravity	0.84
Odor	at 10.00 % in dipropylene glycol. mushroom earthy green oily fungal raw chicken
biological source	synthetic
explosive limit	0.9-8%(V)
Odor Type	earthy
Optical Rotation	-2.8°(C=0.054g/100mI, CHCL3 , 20°C, 589nm)
Water Solubility	Not miscible or difficult to mix in water.
JECFA Number	1152
BRN	1744110
Henry's Law Constant	1.9×10^-1 mol/(m³Pa) at 25℃, Wu et al. (2022)
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey	VSMOENVRRABVKN-UHFFFAOYSA-N
SMILES	CCCCCC(O)C=C
LogP	2.64
CAS DataBase Reference	3391-86-4(CAS DataBase Reference)
NIST Chemistry Reference	1-Octen-3-ol(3391-86-4)
EPA Substance Registry System	3391-86-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H301-H315-H317-H332
Precautionary statements	P261-P264-P280-P301+P310-P302+P352-P304+P340+P312
Hazard Codes	Xn
Risk Statements	R22:Harmful if swallowed. R36/38:Irritating to eyes and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	2810
WGK Germany	3
RTECS	RH3300000
Autoignition Temperature	245 °C
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1(b)
PackingGroup	III
HS Code	29052990
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Acute Tox. 4 Inhalation Skin Irrit. 2 Skin Sens. 1
Safety Profile	Poison by ingestion and intravenous routes. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Toxicity	LD50 orally in Rabbit: 340 mg/kg LD50 dermal Rabbit 3300 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Occurrence

Originally reported found in the mushroom Armillaria matsutake, a parasite growing on the radical hairs of Pinus densiflora in the forests of Japan; it has been isolated also in the essential oils of Mentha pulegium L., lavender and Mentha timjia. Also reported found in over 160 foods and beverages including banana, kumquat peel oil, berries, currants, guava, grapes, raisin, melon, pineapple, asparagus, potato, tomato, Mentha oils, thyme, wheat bread, cheeses, buttermilk, boiled egg, fish, cooked meats, hop oil, beer, cognac, rum, grape wines, cocoa, coffee, tea, pecans, plum, oats, soybean, olive, cloudberry, plums, beans, mushroom, marjoram, starfruit, sesame seed, fig, kelp, rice, beans, litchi, calamus, dill, licorice, pumpkin, buckwheat, sweet corn, corn tortilla, malt, rice, wort, krill, rosemary, Bourbon vanilla, mountain papaya, endive, lemon balm, shrimp, oyster, crab, clam, scallop, truffle, winter savory, anise hyssop and maté.

Definition

ChEBI: An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-11C-2.

Preparation

From magnesium amyl bromide and acrolein.

Aroma threshold values

Detection: 14 ppb; recognition: 25 ppb

Taste threshold values

Taste characteristics at 10 ppm: mushroom, earthy, fungal, green, oily, vegetative, umami sensation and savory-brothy.

General Description

1-Octen-3-ol occurs naturally in mushrooms. It is the most prominent odor volatile produced by fungi such as Aspergillus, Penicillium and Fusarium species. 1-Octen-3-ol is also formed in major quantity when soybeans are soaked in water as a pretreatment before soymilk production. It is also a potent mosquito attractant.

Flammability and Explosibility

Notclassified(100%)

Trade name

Matsutakeol (Takasago).

Biochem/physiol Actions

Taste at 0.01-0.20 ppm

Material Safety Data Sheet(MSDS)

Questions And Answer

Description
1-octen-3-ol, octenol (also known as mushroom alcohol) is a kind of secondary alcohol. It can emit special smell that can attract the biting insects such as mosquitoes. It is contained in the breath and sweat of mammals, and seems to be appreciated by insects such as mosquitoes. It is mainly produced by some plants and fungi including mushrooms and lemon balm through oxidative breakdown of linoleic acid. It can be used in combination with carbon dioxide to attract the insects to kill them. In addition, it can also be used as a food additive and used in certain perfumes. However, in animal study, it could disrupt dopamine homeostasis, and might be potentially involved in Parkinsonism. ;
Chemical Properties
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
- asparagus
- carrot
- cucumber
- mushroom
Natural occurrence: Clover, cooked artichoke, fish, mushroom, peas, soybeans, wheat bread, tea, and beef. ;
Uses
1. 1-Octen-3-ol is a chemical that attracts biting insects such as mosquitoes. It occurs naturally in some plants, fungi, and molds; and it is a metabolite of linoleic acid. It is also found in human breath and sweat, which is unfortunate because it attracts mosquitoes and other biting insects and it was once believed that insect repellent DEET works by blocking the insects' octenol odorant receptors.
2. Used as a flavoring agent in cheese and chocolate.
3. Used as a perfuming agent in cosmetic industry.
4. Since the discovery in the early 1980s that 1-octen-3-ol, isolated from oxen breath, attracts tsetse fly, there has been growing interest in exploring the use of this semiochemical as a possible generic lure for trapping host-seeking mosquitoes. Intriguingly, traps baited with 1-octen-3-ol captured significantly more females of the malaria mosquito, Anopheles gambiae, and the yellow fever mosquito, Aedes aegypti, than control traps, but failed to attract the southern house mosquito, Culex quinquefasciatus.
;
References
1. http://www.chm.bris.ac.uk/motm/octenol/octenolh.htm
2. https://en.wikipedia.org/wiki/1-Octen-3-ol
;

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3391-86-4

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Hazard Information

Occurrence

Definition

Preparation

Aroma threshold values

Taste threshold values

General Description

Flammability and Explosibility

Trade name

Biochem/physiol Actions

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

Chemical Properties

Uses

References

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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