1-octen-3-ol
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IUPAC name :oct-1-en-3-ol
InChI :InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey :VSMOENVRRABVKN-UHFFFAOYAB
SMILES :CCCCCC(C=C)O
cas number :3391-86-4
(EINECS) number :222-226-0
beilstein number :1744110
fema number :2805
coe number :72
jecfa number :1152
fl. number :02.023
molar refractivity :40.33 ± 0.3 cm3
parachor :353.5 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.834 ± 0.06 g/cm3
polarizability :15.98 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 128.2120400
formula :C8 H16 O
BioActivity Analysis :124234
NMR Predictor :Predict
 
 
IUPAC name :(3R)-oct-1-en-3-ol
InChI :InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1
InChIKey :VSMOENVRRABVKN-QMMMGPOBBS
SMILES :CCCCC[C@H](C=C)O
cas number :3687-48-7
molar refractivity :40.33 ± 0.3 cm3
parachor :353.5 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.834 ± 0.06 g/cm3
polarizability :15.98 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 128.2120400
formula :C8 H16 O
NMR Predictor :Predict
 
 
IUPAC name :(3S)-oct-1-en-3-ol
InChI :InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
InChIKey :VSMOENVRRABVKN-UHFFFAOYAB
SMILES :CCCCC[C@@H](C=C)O
cas number :24587-53-9
molar refractivity :40.33 ± 0.3 cm3
parachor :353.5 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.834 ± 0.06 g/cm3
polarizability :15.98 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 128.2120400
formula :C8 H16 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :172.515
Suppliers :
Advanced Biotech :1-octen-3-ol
86% min. natural
Odor:  Mushroom
Advanced Biotech :1-octen-3-ol
98% min. natural
Odor:  Mushroom
Advanced Biotech :1-octen-3-ol
98% min. synthetic
Odor:  Mushroom
Apple :1-Octen-3-ol
Bedoukian Research :1-OCTEN-3-OL, (AMYL VINYL CARBINOL)
≥98.0%, FCC, Kosher
Odor:  Powerful herbaceous, earthy and hay-like.
Berje :Amyl Vinyl Carbinol
Cargill - Alfrebro :1-OCTEN-3-OL FLAVOR (EU NAT)
natural, Kosher
Cargill - Alfrebro :MUSHROOM OIL FLAVOR (EU NAT)
natural, Kosher
Citrus and Allied Essences :1-octen-3-ol
FCC
Fleurchem :1-octen-3-ol
natural
Fontarome :1-OCTEN 3 OL
Odor:  Earthy mushroom odor with herbaceous undertone
Frutarom :1-OCTEN-3-OL (MUSHROOM ALCOHOL)
≥98.50%, NI, Kosher
Odor:  Earthy, Green, Mushroom, Vegetable
Givaudan :Amyl Vinyl Carbinol
Odor:  Mushroom, Herbal
IFF :Mushroom Extract
≥86.00% 1-octen-3-ol, natural, Kosher
Odor:  Clean, earthy, mushroom
Moellhausen :1-octen-3-ol
98.5% min. nature identical kosher
Odor:  ethereal, mushroom note, green, earthy
Mooreganics :1-Octen-3-ol
Natural (Organic Compliant)
Penta :1-octen-3-ol
Penta :1-octen-3-ol
natural
Sigma-Aldrich-SAFC :1-Octen-3-ol
≥98%, FCC, Kosher, FG
Odor:  cheese; creamy; herbaceous; earthy; fishy; meaty; vegetable
Takasago :Matsutakeol
≥98% as 1-Octen-3-ol
organoleptics :
odor type :earthy
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		mushroom earthy green oily fungal raw chicken
odor sample from :Takasago International Corp
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.83000 to 0.83800 @ 25.00 °C.
pounds per gallon - calc. : 6.906 to 6.973
specific gravity :0.83100 to 0.83900 @ 20.00 °C.
pounds per gallon - calc. : 6.923 to 6.989
refractive index :1.43400 to 1.44000 @ 20.00 °C.
boiling point : 84.00 to 85.00 °C. @ 25.00 mm Hg
boiling point : 174.00 to 175.00 °C. @ 760.00 mm Hg
vapor pressure :0.50000 mm/Hg @ 20.00 °C.
vapor density :4.4 ( Air = 1 )
flash point : 142.00  °F.  TCC  ( 61.11 °C. )
logP (o/w) : 2.64
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    340.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976.

intravenous-Mouse    56.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  3300.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 681, 1976.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 1-octen-3-ol usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for 1-octen-3-ol usage levels up to :
  6.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2810
 
WGK Germany :3
 
 
 
 oct-1-en-3-ol
(EINECS) number :222-226-0
RTECS :RH3300000 for 3391-86-4
chemidplus :003391864
EPA Substance Registry Services :3391-86-4
dtp/nci :87563
 
 
 (3R)-oct-1-en-3-ol
chemidplus :3687-48-7
EPA Substance Registry Services :3687-48-7
 
 
 (3S)-oct-1-en-3-ol
chemidplus :24587-53-9
EPA Substance Registry Services :24587-53-9
references :
 oct-1-en-3-ol
fl. number :02.023
jecfa number :1152
NIST Chemistry WebBook :4132229115
pubchem :161810
 (3R)-oct-1-en-3-ol
pubchem :26744289
 (3S)-oct-1-en-3-ol
pubchem :26744388
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 amyl vinyl carbinol
3-hydroxy-1-octene
 matsuka alcohol
 matsutake alcohol
 matsutakeol
 morillol
 mushroom alcohol
 oct-1-en-3-ol
 oct-1-ene-3-ol
3-octenol
 pentyl vintyl carbinol
 vinyl amyl carbinol
1-vinyl hexanol
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
stability :
 alcoholic fine fragrance, good
 antiperspirant, good
 fabric softener, good
 hypochlorite bleach, poor
 liquid detergent, fair
 perborate powder detergent, fair
 soap, good
 toiletry application, good
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 algae absolute
 amber carbinol
 ambroxan
alpha-amyl cinnamaldehyde
 amyl formate
isoamyl salicylate
para-anisyl alcohol
 bay leaf oil
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl disulfide
 benzyl propionate
 benzyl salicylate
(E)-benzyl tiglate
 bergamot oil
 berry furanone
 blood orange oil
isobornyl acetate
laevo-bornyl acetate
 bornyl formate
isobutyl cinnamate
 butyl lactate
 butyl laevo-lactate
 caraway seed oil
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 clary sage oil
 clover nitrile
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanol
(E)-2-decen-1-al
9-decen-1-ol
1-decen-3-ol
 decyl acetate
 dehydrolinalool
 dibenzyl ether
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl sulfoxide
6,8-dimethyl-2-nonanol
 dodecanol
 earthy acetal
2-ethyl fenchol
2-ethyl furan
4-ethyl guaiacol
 ethyl laurate
2-ethyl-4,5-dimethyl oxazole
 ethylene brassylate
 fern absolute
 floral pyranol
 galbanum oil
 gardenia oxide
 geraniol
 geranium absolute
 grapefruit menthane
 grapefruit pentanol
 guaiacol
 heliotropyl acetate
 heliotropyl diethyl acetal
delta-heptalactone
gamma-heptalactone
 heptanal cyclic acetal with glycerol
 heptanal glyceryl acetal
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
 herbal pyran
gamma-hexalactone
(E)-4-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
6-hydroxydihydrotheaspirane (mixture of isomers)
 ionones
isojasmone
 lavandin oil
 lavender absolute
 leaf acetal
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 marine pyridine
 melon acetal
 methyl 10-undecenal
 methyl 2-furoate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl laurate
 methyl phenyl acetate
2-methyl thiazole
4-(methyl thio) butanol
3-(methyl thio) hexanol
tris(methyl thio) methane
1-(methyl thio)-2-butanone
 methyl thiol isovalerate
 methyl undecylenate
3-(5-methyl-2-furyl) butanal
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
2-naphthyl mercaptan
 nerol
 nerolidol
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
gamma-nonalactone
 nonanal
 nonanol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
1-nonen-3-ol
 nonyl octanoate
1,8-octane dithiol
3-octanol
3-octanone
(Z)-5-octen-1-ol
2-octen-1-ol
3-octen-2-ol
1-octen-3-one
1-octen-3-yl butyrate
2-octen-4-one
 octyl 2-furoate
 octyl acetate
 octyl isobutyrate
 octyl propionate
 orris pyridine
 patchouli ethanone
 patchouli oil
omega-pentadecalactone
(E)-2-penten-1-ol
1-penten-3-ol
2-pentyl furan
2-pentyl-1-buten-3-one
 peony alcohol
 peppermint oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl butyl ether
 phenethyl furoate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl acetate
3-phenyl propyl alcohol
1-phenyl-2-pentanol
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
alpha-terpineol
 tetrahydrolinalool
3-tetrahydrothiophenone
 thyme oil
 tropical thiazole
 tropical trithiane
 tuberose absolute
gamma-undecalactone
10-undecen-1-ol
10-undecen-1-yl acetate
 vanilla absolute
 verymoss
 violet decenol
 violet methyl carbonate
 watermelon ketone
 woody acetate
(odor and/or flavor) used in :
 acorn
 aldehydic
 alpine bouquet
 ash mountain ash
 asparagus
 avocado
 banana
 bergamot
 botanical
 broom genet genista
 carrot seed
 cedar forest
 cheese
 chypre
 cognac
 costus
 cucumber
 dill
 earth humus
 fermented
 fern fougere
 fir balsam
 fish
 flouve blossom
 foliage
 forest
 fruit
 fungus
 grass sweet grass
 green
 hay new mown hay foin coupe
 herbal
 honeysuckle chevrefeuille
 hops houblon
 hyacinth jacinthe
 iris blossom
 kewda
 lavandin
 lavender
 licorice
 lily
 liverwort
 lobster
 malt
 milk
 muguet lily of the valley
 mushroom
 oakmoss mousse de chene
 ocean sea
 outdoors natural outdoors
 patchouli
 peppermint
 potato
 prawn
 pumpkin
 reseda mignonette
 rutabaga
 savory
 seaweed
 shellfish
 spearmint
 spice
 strawberry
 timber
 tomato
 trassi
 truffle
 vegetable
 watercress nasturtium
 yeast
 yew
natural occurrence in :
artichoke cooked artichoke
banana
data pagebay leaf oil @ 0.00-1.74%
beans
beef
beer
bergamot plant wild
bread wheat bread
data pagechamomile oil @ 0.05%
data pagechamomile oil morocco @ 0.10%
cheese gorgonzola cheese
data pageclary sage oil france @ trace%
dill
fish
data pagegenet absolute @ 1.20%
hyacinth
data pagehyptis suaveolens (l.) poit. oil mali @ 0.30-0.90%
data pagelavandin oil abrialis @ 0.33%
data pagelavandin oil grosso @ 0.12%
data pagelavender oil CO2 extract france @ trace%
data pagelavender oil greece @ 0.53%
data pagelavender oil spike france @ 0.09%
data pagelayana oil kenya @ 1.14%
leek
data pagelemon verbena oil morocco @ 0.7%
licorice
lily
data pagemalpighia glabra l. fruit oil @ 0.20%
malt
data pagemarjoram oil sweet cuba @ trace%
data pagemarjoram oil sweet cyprus @ 0.00-trace%
data pagemarjoram oil sweet turkey @ 0.18-0.28%
data pagemarjoram pot oil turkey @ 0.16-0.93%
data pagemelissa oil slovak republic @ 0.25%
milk
mushroom
data pageocimum gratissimum l. oil brazil @ 0.15%
data pageoriganum oil greece @ 0.39%
data pageorthodon dianthera maxim. oil vietnam @ 0.20%
pea
data pagepennyroyal oil spain @ trace%
data pagepeppermint oil mongolia @ 0.30%
pork
pumpkin
rice
data pagerosemary oil CO2 extract @ 0.18%
data pagesavory oil summer @ 0.28-0.36%
shrimp
soya bean
spearmint oil
data pagestachys recta l. oil serbia @ 19.70%
strawberry
tea
data pagethyme oil portuguese @ 0.2%
data pagethyme oil red india @ 1.4%
data pagethyme oil red spain @ 0.41-0.67%
data pagethyme oil wild or creeping canada @ 2.10%
data pagethyme oil wild or creeping finland @ 0.40%
tomato
data pagewitch hazel leaf oil @ 0.03%
data pageyarrow oil greece @ trace%



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