pear valerate
organoleptics  properties  safety  references  cosmetics    Home Page
Notes :
Blends well with floral and herbal notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-methylpentyl 2-methylpentanoate
InChI :InChI=1/C12H24O2/c1-5-7-10(3)9-14-12(13)11(4)8-6-2/h10-11H,5-9H2,1-4H3
InChIKey :UMFWRNLJDQMTFR-UHFFFAOYAK
SMILES :CCCC(C)COC(=O)C(C)CCC
cas number :90397-38-9
(EINECS) number :291-418-4
molar refractivity :59.33 ± 0.3 cm3
parachor :529.0 ± 4.0 cm3
index of refraction :1.427 ± 0.02
surface tension :27.5 ± 3.0 dyne/cm
density :0.867 ± 0.06 g/cm3
polarizability :23.52 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 200.3177600
formula :C12 H24 O2
 
 
export tariff code :2915.90.8090
fda reg :unspecified

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
fruity clean sweet pear oily jasmin natural
odor sample from :Henkel Corporation
substantivity :16  Hour(s)

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 to 0.85900 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.148
refractive index :1.42000 to 1.42400 @ 20.00 °C.
boiling point : 113.00 °C. @ 21.00 mm Hg
flash point : 178.00  °F.  TCC  ( 81.11 °C. )
logP (o/w) : 4.59

safety :
Oral Toxicity(LD50) :
  Oral-Mouse    >3.10  gm/kg

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

safety in use :
 
recommendation for pear valerate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for pear valerate 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
 
 
 
 2-methylpentyl 2-methylpentanoate
(EINECS) number :291-418-4
chemidplus :090397389
EPA Substance Registry Services :90397-38-9

references :
 2-methylpentyl 2-methylpentanoate
pubchem :741058

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
synonyms :
2-methyl pentanoic acid 2-methyl pentyl ester
2-methyl pentyl 2-methyl pentanoate
2-methyl pentyl 2-methyl valerate
2-methyl-2-methyl valeryl valerianate
2-methylpentyl 2-methylpentanoate
 peranat

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 allyl 2-ethyl butyrate
 allyl butyrate
 allyl cinnamate
 allyl cyclohexyl valerate
 allyl hexanoate
 allyl octanoate
 allyl propionate
isoamyl 3-methyl thiopropionate
 amyl butyrate
isoamyl butyrate
isoamyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl laurate
isoamyl propionate
para-anisyl acetate
para-anisyl butyrate
para-anisyl propionate
 apple crotonate
 apricot isobutyrate
 benzyl acetate
 benzyl butyrate
 benzyl isobutyrate
 benzyl octanoate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 buchu mercaptan
 butyl anthranilate
 butyl decylenate
 butyl formate
isobutyl hexanoate
isobutyl isobutyrate
 butyl isovalerate
 butyl valerate
(E)-carveol
laevo-carveol
laevo-carvone
(Z)-carvone-5,6-oxide
 carvyl acetate
 cassis pentanone
 citronellyl acetate
 citronellyl formate
 creamy lactone
 cyclohexyl carboxylic acid
 cyclohexyl cinnamate
beta-damascenone
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
delta-decalactone
gamma-decalactone
 decen-1-yl cyclopentanone
delta-decenolactone
 dihydrocarveol
dextro-dihydrocarvone
 dill seed oil
 dimethyl benzyl carbinyl butyrate
alpha,alpha-dimethyl benzyl isobutyrate
 dipropyl trisulfide
delta-dodecalactone
epsilon-dodecalactone
gamma-dodecalactone
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-octenoate
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-octenoate
 ethyl 4-phenyl butyrate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl cyclohexane propionate
 ethyl nonanoate
 ethyl octanoate
 fruity butanate
 fruity cyclopentanone
 furfuryl octanoate
2-furyl pentyl ketone
 genet absolute
 geranyl isobutyrate
 geranyl methyl tiglate
 geranyl propionate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 grapefruit menthane
 guaiyl butyrate
 heptanal dimethyl acetal
 heptyl acetate
2-heptyl cyclopentanone
 heptyl formate
 hexanal diethyl acetal
2-hexen-1-al
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl phenyl acetate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl valerate
 hexyl 2-butenoate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl 2-methyl-3-pentenoate
 hexyl formate
 hexyl isobutyrate
 hexyl propionate
 hotrienol
2'-hydroxyacetophenone
 jambu oleoresin
 jasmin acetoacetate
 jasmin cyclopentanone
 jasmin lactone
 jasmin pyranone
 linalyl hexanoate
 linalyl isovalerate
 lychee mercaptan acetate
 maltyl isobutyrate
 mango thiol
 melon nonenoate
 melon octenoate
(Z+E)-para-1(7)8-menthadien-2-yl acetate
1-para-menthene-8-thiol
3-mercapto-2-butanone
3-mercaptohexyl acetate
3-mercaptohexyl butyrate
3-mercaptohexyl hexanoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl valerate
 methyl 2,4-decadienoate
 methyl formate
 methyl ketones
 methyl nonanoate
 methyl octenoate
S-(methyl thio) hexanoate
 methyl thiomethyl butyrate
 mint lactone
 musk propanoate
 nerolidyl isobutyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(Z)-6-nonen-1-yl acetate
 nonyl acetate
beta-ocimene
(E,E)-2,4-octadien-1-al
2,4-octadien-1-al
delta-octalactone
 octen-1-yl cyclopentanone
(Z)-3-octen-1-yl propionate
2-octen-4-one
 passiflora acetate
 peach cyclopentanone
 peach nitrile
 peach pivalate
1-penten-3-ol
 petitgrain mandarin oil
 phenethyl acetate
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenethyl mercaptan
1-phenyl propyl butyrate
3-phenyl propyl isovalerate
 plum crotonate
 prenyl acetate
isopropyl 2-methyl butyrate
 propyl 2,4-decadienoate
 propyl acetate
isopropyl formate
 propyl heptanoate
 propyl hexanoate
 propyl isobutyrate
isopropyl isobutyrate
 propyl salicylate
 rose butanoate
 sorbyl isobutyrate
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 spicy acetoacetate
gamma-terpinene
 terpinyl propionate
 tetrahydrocarvone
 tetrahydrofurfuryl butyrate
 tetrahydrofurfuryl propionate
4-(para-tolyl)-2-butanone
(E)-2-tridecen-1-yl acetate
S-tropical 2-thiobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical oxathiane
 tropical thiazole
 tropical trithiane
delta-undecalactone
gamma-undecalactone
isovaleraldehyde
isovaleraldehyde propylene glycol acetal
 viridiflorol

(odor and/or flavor) used in :
 clean
 coconut tropical coconut
 gardenia
 grass sweet grass
 jasmin
 natural
 orris iris
 pear
 woody

natural occurrence in :
not found in nature



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