3-nonanol
 
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IUPAC name :nonan-3-ol
InChI :InChI=1/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
InChIKey :GYSCXPVAKHVAAY-UHFFFAOYAI
SMILES :CCCCCCC(CC)O
(EINECS) number :210-850-6
cas number :624-51-1
coe number :10290
fl. number :02.190
molar refractivity :45.23 ± 0.3 cm3
parachor :404.3 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :17.93 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 144.2545000
formula :C9 H20 O
 
 
IUPAC name :(3R)-nonan-3-ol
InChI :InChI=1/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKey :GYSCXPVAKHVAAY-SECBINFHBF
SMILES :CCCCCC[C@@H](CC)O
cas number :624-51-1
molar refractivity :45.23 ± 0.3 cm3
parachor :404.3 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :17.93 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 144.2545000
formula :C9 H20 O
 
 
IUPAC name :(3S)-nonan-3-ol
InChI :InChI=1/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKey :GYSCXPVAKHVAAY-VIFPVBQEBC
SMILES :CCCCCC[C@H](CC)O
cas number :624-51-1
molar refractivity :45.23 ± 0.3 cm3
parachor :404.3 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :17.93 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 144.2545000
formula :C9 H20 O
 
 
export tariff code :2905.19.9095
fda reg :unspecified
 
Suppliers :
Bedoukian Research :3-NONANOL (HEXYL ETHYL CARBINOL)
 ≥98.0%, Kosher
 
 
organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  		spice herbal
properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82100 - 0.82800 @ 25.00 °C.
pounds per gallon - calc. : 6.832 to 6.890
refractive index :1.42700 - 1.43400 @ 20.00 °C.
boiling point : 206.00 °C. @ 760.00 mm Hg
logp : 3.22
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.011 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
  
flash point ( Deg. F. ) : 175.00  °F.  TCC  ( 79.44 °C. )
  
recommendation for 3-nonanol usage levels up to :
  3.0000 % in the fragrance concentrate.
  
  
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
safety links :
(EINECS) number :210-850-6
chemidplus :000624511
epa-srs :624-51-1
  
chemidplus :624-51-1
epa-srs :624-51-1
  
chemidplus :624-51-1
epa-srs :624-51-1
  
other :
 
references :
fl. number :02.190
pubchem :155537
NIST Chemistry WebBook :628121222
  
pubchem :43601353
  
pubchem :43601354
  
synonyms :
 ethyl hexyl carbinol
 hexyl ethyl carbinol
 nonan-3-ol
3-nonanol
soluble in :
 alcohol
 water, 315 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 agrumen nitrile
 birch oil sweet america
isobutyl (E,E)-2,4-decadienamide
sec-butyl-3-methyl but-2-ene thioate
 calamenene
 carrot leaf oil
 carrot weed oil
 carvacryl ethyl ether
 carvacryl methyl ether
 cinnamaldehyde dimethyl acetal
 coriander seed absolute
 coriander seed concrete
 coriander seed oil
(-)-cubenol
 cuminyl alcohol
 currant bud absolute black
 dehydroxylinalool oxide
 dihydrojasmone
2,4-dimethyl anisole
 fleabane oil
 ginger oleoresin
2-heptanone
 herbal acetal
 hexyl 3-mercaptobutanoate
 marjoram oil sweet cyprus
 marjoram oil sweet egypt
 marjoram oil sweet morocco
para-menth-1-en-9-al
1-para-menthen-9-yl acetate
T-muurolol
3-octanon-1-ol
3-octen-2-one
 parsley seed oil
 patchouli absolute
 perillyl acetate
 privet dioxane
 saffron indenone
 safranal
 terpinyl isobutyrate
 thymyl methyl ether
(odor and/or flavor) used in :
 earth humus
 fern fougere
 fresh
 herbal
 spice
natural occurrence in :
data pagecornmint oil india @ 0.04%



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