chamomile valerate
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Notes :
Blends well with mint oils. Methyl Camomille has a typical herbaceous, camomille flower character. Its natural aspect makes it valuable in floral and fruity accords to modify top notes. Methyl Camomille also has a very attractive effect in rose accords.
 
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IUPAC name :butyl 2-methylpentanoate
InChI :InChI=1/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKey :FMVUGLMJUHFPSJ-UHFFFAOYAZ
SMILES :CCCCOC(=O)C(C)CCC
cas number :6297-41-2
(EINECS) number :228-569-2
fl. number :09.322
molar refractivity :50.11 ± 0.3 cm3
parachor :452.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :19.86 ± 0.5 10-24cm3
XlogP : 3.30
XlogP3-AA : 3.30
molecular weight : 172.2646000 (IUPAC) (PT) (112)
formula :C10 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified

Suppliers :
Grau Aromatics :BUTYL-2-METHYLVALERATE
Inoue :BUTYL 2-METHYL VALERATE
Nanjing :pentanoic acid 2-methyl-,butyl ester
orders in chinese.
TCI AMERICA :Butyl 2-Methylvalerate
>98.0%(GC)

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
aromatic floral fruity chamomile rose
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
Food Chemicals Codex Listed :No
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : 3.71

safety :
Oral Toxicity(LD50) : 
  Oral-Mouse    8000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for chamomile valerate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for chamomile valerate flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
butyl 2-methylpentanoate
(EINECS) number :228-569-2
chemidplus :006297412
EPA Substance Registry Services :6297-41-2
dtp/nci :17885

references :
 
butyl 2-methylpentanoate
fl. number :09.322
NIST Chemistry WebBook :324799479
pubchem :672697

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
FMA :listed
synonyms :
 butyl 2-methyl pentanoate
 butyl 2-methyl valerate
 butyl 2-methylpentanoate
 butyl alpha-methyl valerate
 butyl isohexanoate
 chamomile valerate
 methyl camomille

Similar Products:    note
 amyl 2-methyl valerate
 ethyl 2-methyl valerate
 methyl 2-methyl valerate
2-methyl pentyl 2-methyl valerate

soluble in :
 alcohol
 water, 55 mg/L @ 20C

insoluble in :
 water

potential blenders :    note
 acetal 318FR
1-acetyl cyclohexyl acetateFL
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
isoamyl salicylateFL/FR
isoamyl undecylenateFL/FR
para-anisyl formateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 berry hexanoateFR
beta-bisabololFL/FR
isobutyl anthranilateFL/FR
isobutyl benzyl carbinolFL/FR
 butyl benzyl etherFL/FR
isobutyl furyl propionateFL/FR
 butyl levulinateFL/FR
2-butyl thiopheneFL
 butyl tiglateFL/FR
 butyl undecylenateFL/FR
 cajuput oilFL/FR
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 chamomile flower oil romanFL/FR
 chamomile isobutyrateFR
 chamomile octenoneFR
 chamomile propionateFR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
 cuminyl acetateFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
gamma-damasconeFR
2-decalinyl acetateFR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 diethyl malateFL
2,4-difurfuryl furanFL
 dihydrocarvyl acetateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
2,10-epoxypinaneFR
 ethyl 2-furoateFL
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 eucalyptus globulus oilFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geranic oxideFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl octanoateFL/FR
 geranyl tiglateFL/FR
 gingergrass oilFR
 globulol 
 hawthorn ethanolFR
2-heptanolFL/FR
 heptyl butyrateFL/FR
 heptyl formateFL/FR
 heptyl isobutyrateFL/FR
 herbal acetalFR
 herbal pyranFR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
 hyssop oilFL/FR
 karo karounde absoluteFR
 lavandin oil abrialisFL/FR
 lavender absolute bulgariaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linalyl octanoateFL/FR
 lovage root absoluteFL
 lovage root oilFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
2-methyl octanalFL/FR
(E)-7-methyl-3-octen-2-oneFL
 musk acetateFR
 myrtle oilFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
3-nonanon-1-yl acetateFL/FR
(Z)-beta-ocimeneFL/FR
3-octanon-1-olFL/FR
 orris capronateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
isophytolFL/FR
 prenyl salicylateFL/FR
isopropyl benzoateFL/FR
 rhubarb pyranFR
laevo-rose oxideFL/FR
 rose undeceneFR
 strawberry glycidate 2FL/FR
 styralyl propionateFL/FR
 terpinyl isobutyrateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
4-(para-tolyl)-2-butanoneFL/FR
 tricyclodecenyl propionateFR
 tropical iononeFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
 verymossFR

potential uses :
 chamomileFR
 floralFR
 fruitFR
 herbalFR
 oakmoss mousse de chene mossFR
 roseFR

natural occurrence in :    note
 not found in nature  



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