2-hexen-1-ol
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IUPAC name :hex-2-en-1-ol
InChI :InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
InChIKey :ZCHHRLHTBGRGOT-UHFFFAOYAD
SMILES :CCCC=CCO
cas number :2305-21-7
(EINECS) number :218-972-1
fema number :2562
coe number :69
jecfa number :1354
fl. number :02.020
molar refractivity :31.43 ± 0.3 cm3
parachor :274.8 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :12.46 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 100.1588800 (IUPAC)
formula :C6 H12 O
BioActivity Analysis :427685
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :172.515
Suppliers :
Bedoukian Research :trans-2-HEXEN-1-OL
≥95.0%, Kosher
Odor:  Sharp, green, leafy, fruity, unripe banana
Adds pleasant fruity notes to lavender, mint and geranium compositions.
Flavor:  green
Used in apple, berry, orange and pear flavors and as an alcohol enhancer.
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		fruity green leafy
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83600 to 0.84100 @ 25.00 °C.
pounds per gallon - calc. : 6.956 to 6.998
refractive index :1.43700 to 1.44200 @ 20.00 °C.
boiling point : 158.00 to 160.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :3.00000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 143.00  °F.  TCC  ( 61.67 °C. )
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    3500.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  4500.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for 2-hexen-1-ol fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
safety references :
EPI System :view
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
hex-2-en-1-ol
(EINECS) number :218-972-1
chemidplus :002305217
EPA Substance Registry Services :2305-21-7
dtp/nci :142553
references :
 
hex-2-en-1-ol
fl. number :02.020
jecfa number :1354
NIST Chemistry WebBook :2305217
pubchem :197560
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 hex-2-en-1-ol
2-hexen-1-ol
2-hexenol
3-propyl allyl alcohol
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl anthranilateFL/FR
 allyl tiglateFL
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 basil absolute sweetFL/FR
 berry pentadienoateFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
para-cresyl isobutyrateFL/FR
neocyclocitralFR
gamma-damasconeFR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl hexanoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-butanolFL/FR
 fir carboxylateFR
 furfuryl propionateFL
 geranium absoluteFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 green dioxolaneFR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl cinnamateFL/FR
 heptyl isobutyrateFL/FR
 herbal heptaneFR
 hexanal propylene glycol acetalFL/FR
(E)-2-hexen-1-alFL
(E)-2-hexen-1-alFL/FR
2-hexen-1-alFL
3-hexen-1-alFL/FR
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
(Z)-2-hexen-1-olFL/FR
3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 leafy acetalFL/FR
 lily propanolFR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
 methyl heptine carbonateFL/FR
 methyl valerateFL/FR
3-methyl valeric acidFL
3-methyl-3-pentanolFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-2-octen-1-al 
(Z)-5-octen-1-yl propionateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
 petitgrain combava oilCS
 phenethyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
alpha-isopropyl phenyl acetaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
 rose leaf absoluteFL/FR
 rosemary oleoresinFL/FR
 sorbyl isobutyrateFL/FR
 styralyl acetateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 tricyclodecyl acetateFR
 woody acetateFR
potential uses :
 apple
 banana
 berry
 butter
 cheese parmesan cheese
 cherry
 chocolate cocoa
 currant red currant
 geranium
 grape
 green
 kiwi
 lavender
 mint
 nut
 orange
 pea green pea
 peach
 pear
 raspberry
 strawberry
 tea
 tomato
 vegetable
natural occurrence in :    note
 apple juice  
 asparagus S
 beer  
 cognac  
 hop oil S
 kiwi S
data pagementha longifolia (l.) huds. oil jordan @ trace% S
 olive  
 peach  
 strawberry S
 tea  
 tomato  
 wine white wine  

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