dihydromyrcenyl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2,6-dimethyloct-7-en-2-yl acetate
InChI :InChI=1/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3
InChIKey :BEARMGATPGLSKG-UHFFFAOYAS
SMILES :CC(CCCC(C)(C)OC(=O)C)C=C
cas number :53767-93-4
(EINECS) number :258-751-7
molar refractivity :59.06 ± 0.3 cm3
parachor :515.7 ± 4.0 cm3
index of refraction :1.436 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.878 ± 0.06 g/cm3
polarizability :23.41 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
IFF :Dihydro Myrcenyl Acetate
≥96% (major peak)
Odor:  Citrus, floral complex reminiscent of bergamot, lime and lavender.
Moellhausen :dihydromyrcenil acetate
98% min. artifical kosher
Odor:  woody, slightly fruity.
Flavor:  woody, slightly citrusy and fruity.
Penta :dihydromyrcenyl acetate

organoleptics :
odor type :citrus
odor strength :medium
odor description :¹
at 100.00 %.  
citrus bergamot lime lavender
odor sample from :Fragrance Resources Inc.
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86900 to 0.87700 @ 25.00 °C.
pounds per gallon - calc. : 7.231 to 7.298
specific gravity :0.87000 to 0.87800 @ 20.00 °C.
pounds per gallon - calc. : 7.248 to 7.314
refractive index :1.42900 to 1.43400 @ 20.00 °C.
boiling point : 213.00 to 218.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor density :>1 ( Air = 1 )
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 3.90

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

safety in use :
 
recommendation for dihydromyrcenyl acetate usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for dihydromyrcenyl acetate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :2
 
 
 
 2,6-dimethyloct-7-en-2-yl acetate
(EINECS) number :258-751-7
chemidplus :053767934
EPA Substance Registry Services :53767-93-4

references :
 2,6-dimethyloct-7-en-2-yl acetate
pubchem :681267

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1995)¹
CosIng :cosmetic data
synonyms :
 dihydromyrcenal acetate
2,6-dimethyl oct-7-en-2-yl acetate
2,6-dimethyl-7-octen-2-yl acetate
2,6-dimethyl-7-octen-2-yl ethanoate
2,6-dimethyloct-7-en-2-yl acetate

soluble in :
 alcohol

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 liquid detergent
 non-discoloring
 shampoo
 soap

(odor and/or flavor) blends with :
 bergamot acetoacetate
 bois de rose oil
laevo-citronellyl acetate
 citronellyl formate
 citrus ocimenol
 coranol
 coriander heptenol
 cubeb oil
 cuminyl acetate
(E)-2-decen-1-al
 dihydrolinalool
 dihydromyrcenol
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 farnesene
 ho leaf oil
 ho wood oil
 lime octadienal
 lime octenol
 lime oil
 lime oil distilled peru
 lime oil expressed florida
 lime oil expressed terpeneless
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl acetate
dextro-linalyl acetate
laevo-linalyl acetate
 linalyl anthranilate
 linalyl benzoate
 linalyl butyrate
 linalyl formate
 linalyl isobutyrate
 linalyl isovalerate
 linalyl propionate
1-methyl cyclohexene
alpha-methylene citronellal
 myrcenyl acetate
 nerolidyl isobutyrate
 neryl isovalerate
 ocimen-1-yl acetate
3-octyl acetate
 octyl phenyl acetate
 terpineol acetate
 terpinyl isobutyrate
alpha-terpinyl methyl ether
 tetrahydrolinalool
 tetrahydrolinalyl acetate
 tetrahydromyrcenol
 trimethyl cyclohexene

(odor and/or flavor) used in :
 bergamot
 citrus
 floral
 herbal
 lavender
 lime

natural occurrence in :
not found in nature



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