linalyl formate
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IUPAC name :3,7-dimethylocta-1,6-dien-3-yl formate
InChI :InChI=1/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
InChIKey :JZOCDHMHLGUPFI-UHFFFAOYAR
SMILES :CC(=CCCC(C)(C=C)OC=O)C
cas number :115-99-1
(EINECS) number :204-120-6
fema number :2642
coe number :347
jecfa number :358
fl. number :09.080
molar refractivity :54.53 ± 0.3 cm3
parachor :495.8 ± 4.0 cm3
index of refraction :1.451 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.900 ± 0.06 g/cm3
polarizability :21.61 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 182.2594200 (IUPAC)
formula :C11 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Fleurchem :linalyl formate
Givaudan :Linalyl Formate
Odor:  Citrus, Green, Bergamot
Linalyl Formate introduces freshness and lift to the top note of citrus and lavender fragrances. It helps to combine the fruity character of Linalyl Acetate with the fatty notes of the aldehydes.
Inoue :LINALYL FORMATE
Moellhausen :linalyl formate
90% min. nature identical kosher
Odor:  fresh citrusy, green bergamot-like; herbaceous coriander note.
Penta :linalyl formate
SAFC Global® :Linalyl formate
FCC, Kosher, FG
Odor:  green; herbaceous; citrus; woody
Vigon :Linalyl Formate
FCC
Odor:  Citrus, Green, Bergamot
organoleptics :
odor type :herbal
odor strength :medium
odor description:
at 100.00 %.  		citrus green herbal bergamot fruity rose
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.91500 to 0.92400 @ 25.00 °C.
pounds per gallon - calc. : 7.614 to 7.689
refractive index :1.45500 to 1.45800 @ 20.00 °C.
boiling point : 100.00 to 103.00 °C. @ 10.00 mm Hg
boiling point : 202.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.10670 mm/Hg @ 20.00 °C.
flash point : 186.00  °F.  TCC  ( 85.56 °C. )
logP (o/w) : 3.86
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    >5000.00  mg/kg
(Russell, 1973e)

Oral-Mouse   [sex: M]  5389.00  mg/kg
(Hoffman-LaRoche, Inc., 1967b)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.90 (μg/capita/day)
 
recommendation for linalyl formate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for linalyl formate flavor usage levels up to :
  15.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethylocta-1,6-dien-3-yl formate
(EINECS) number :204-120-6
RTECS :RG5925600 for cas# 115-99-1
chemidplus :000115991
EPA Substance Registry Services :115-99-1
dtp/nci :46116
references :
 
3,7-dimethylocta-1,6-dien-3-yl formate
fl. number :09.080
jecfa number :358
NIST Chemistry WebBook :3570223057
pubchem :197276
Flavornet :115-99-1
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1,5-dimethyl-1-vinyl hex-4-enyl formate
3,7-dimethyl-1,6-octadien-3-ol formate
3,7-dimethyl-1,6-octadien-3-yl formate
3,7-dimethylocta-1,6-dien-3-yl formate
 linalool formate
Similar Products:    note
 allyl formate
 amyl formate
isoamyl formate
para-anisyl formate
 benzyl formate
 bornyl formate
isobornyl formate
 butyl formate
isobutyl formate
sec-butyl formate
 carvyl formate
 cedryl formate
 cinnamyl formate
 citronellyl formate
para-cresyl formate
 cyclododecyl formate
 cyclohexyl formate
2-decalinyl formate
 decyl formate
 dimethyl benzyl carbinyl formate
 ethyl formate
 eugenyl formate
isoeugenyl formate
 furfuryl formate
S-furfuryl thioformate
 geranyl formate
 heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
 hexyl formate
 menthadienyl formate
 menthyl formate
laevo-menthyl formate
2-methyl butyl formate
 methyl formate
 myrtenyl formate
 neryl formate
 nonisyl formate
 nonyl formate
 nopyl formate
 octyl formate
3-octyl formate
 phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
 prenyl formate
 propyl formate
isopropyl formate
isopulegyl formate
 rhodinyl formate
 styralyl formate
 sulfuryl formate
 terpinyl formate
soluble in :
 alcohol
 fixed oils
insoluble in :
 glycerin
 water
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 allyl isononylateFR
alpha-amyl cinnamyl formateFL/FR
 basil absolute sweetFL/FR
 benzyl isobutyrateFL/FR
 bergamot acetoacetateFR
 bergamot mint oilFR
 butyl angelateFL/FR
isobutyl angelateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 cajuput oil vietnamFL/FR
alpha-campholenic aldehydeFL/FR
 cassis buteneoneFL/FR
 chamomile oilFL/FR
 cinnamyl formateFL/FR
 citral diethyl acetalFL/FR
 citronellalFL/FR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
laevo-citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
(-)-cubenol 
 cuminaldehydeFL/FR
 cuminyl acetateFL/FR
isocyclogeraniolFR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 decanal dimethyl acetalFL/FR
(E,E,Z)-2,4,7-decatrien-1-alFL
2,4,7-decatrien-1-alFL
 dihydrocitronellyl ethyl etherFR
 dihydromyrcenyl acetateFR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dimethyl octanyl acetateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 ethyl 4-pentenoateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetateFR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 farneseneFL/FR
(Z)-beta-farnesene 
 fig leaf absoluteFL
 geraniolFL/FR
 geranium cyclohexaneFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl octanoateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 green carboxylateFR
 green hexanalFL/FR
 heptanalFL/FR
 heptanolFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
(E,E)-2,4-hexadien-1-ol 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl oxyacetaldehydeFR
 hexyl hexanoateFL/FR
 hexyl phenyl acetateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy leaf absoluteFR
(Z)-linalool oxide (pyranoid)FL/FR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl benzoateFL/FR
 linalyl butyrateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl octanoateFL/FR
 linalyl propionateFL/FR
 melon heptenal propylene glycol acetalFL/FR
 methyl acetoacetateFL
 methyl heptenoneFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
alpha-methylene citronellalFR
 myrcenyl acetateFL/FR
 nerolidolFL/FR
 nerolidyl isobutyrateFR
 neryl formateFL/FR
 neryl isovalerateFL/FR
(E,E)-2,6-nonadien-1-alFL/FR
 nonanal dimethyl acetalFL/FR
 nonisyl formateFR
 ocimen-1-yl acetateFR
 octanal diethyl acetalFL/FR
(E)-2-octen-1-alFL/FR
(E)-2-octen-1-olFL/FR
3-octen-1-yl acetateFL/FR
3-octyl acetateFL/FR
 octyl formateFL/FR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenethyl valerateFL/FR
isophytolFL/FR
2-propyl thiazoleFL
isopulegolFL/FR
 reseda absoluteFR
 rhodinyl butyrateFL/FR
 rose pyranFR
 santalyl butyrateFL/FR
 seaweed absoluteFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tangerine acetateFR
 terpineol acetateFR
 terpinyl isobutyrateFL/FR
alpha-terpinyl methyl etherFL/FR
 tetrahydrolinalyl acetateFR
 theaspiraneFL/FR
alpha-thujene 
 thyme absoluteFL/FR
 timber dioxolaneFR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 tropical indeneFR
 undecanalFL/FR
 viridiflorolFL/FR
potential uses :
 aldehydic
 apple
 apricot
 bergamot
 berry
 chypre
 cologne
 fern fougere
 fresh
 jasmin
 lavender
 lilac lilas syringa
 lily
 peach
 pineapple
 rose red rose
 vervain
natural occurrence in :    note
data pageclary sage oil greece @ trace% S
 lavandula  
 prunus armeniaca S
 prunus persica S
 salvia sclarea S

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