marine formate
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IUPAC name :1-(3,3-dimethylcyclohexyl)ethyl formate
InChI :InChI=1/C11H20O2/c1-9(13-8-12)10-5-4-6-11(2,3)7-10/h8-10H,4-7H2,1-3H3
InChIKey :NFASPEPDTMCBEN-UHFFFAOYAZ
SMILES :CC(C1CCCC(C1)(C)C)OC=O
cas number :25225-08-5
(EINECS) number :246-735-2
molar refractivity :52.78 ± 0.3 cm3
parachor :462.4 ± 6.0 cm3
index of refraction :1.439 ± 0.02
surface tension :28.2 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :20.92 ± 0.5 10-24cm3
XlogP : 4.00
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :unspecified
Suppliers :
IFF :Aphermate
≥80% (sum of isomers)
Odor:  Woody, Herbal, Fresh
Fresh, pine, woody, herbal, earthy, seashore complex that exhibits fruity apple aspects at low concentrations.
John D. Walsh :Aphermate
Moellhausen :aphermate
nature identical kosher
Penta :aphermate
Vigon :Aquamate
(marine Formate, Aphermate)
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		fresh woody herbal seashore fruity apple
substantivity :12 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 80.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93500 to 0.94300 @ 25.00 °C.
pounds per gallon - calc. : 7.780 to 7.847
specific gravity :0.93600 to 0.94400 @ 20.00 °C.
pounds per gallon - calc. : 7.798 to 7.864
refractive index :1.44500 to 1.45300 @ 20.00 °C.
boiling point : 228.00 to 229.00 °C. @ 760.00 mm Hg
flash point : 218.00  °F.  TCC  ( 103.33 °C. )
logP (o/w) : 3.88
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

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

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for marine formate fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for marine formate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1-(3,3-dimethylcyclohexyl)ethyl formate
(EINECS) number :246-735-2
chemidplus :025225085
EPA Substance Registry Services :25225-08-5
references :
 
1-(3,3-dimethylcyclohexyl)ethyl formate
pubchem :668076
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 aphermate
 cyclohexane-1-methanol-alpha,3,3-trimethyl formate
1-(3,3-dimethylcyclohexyl)ethyl formate
 marine formate
alpha,3,3-trimethyl cyclohexyl methyl formate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 shampoo
 soap
potential blenders :    note
 algae absoluteFR
 anise indeneFR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl tiglateFL
3-benzyl-4-heptanoneFL/FR
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
 campheneFL/FR
 cassis methanolFR
 chamomile propionateFR
 cinnamon acroleinFL/FR
 cistus oilFL/FR
 citrus carbaldehydeFR
isocyclocitralFL/FR
8,9-dehydrotheaspironeFL
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 floral nitrileFR
 hexyl tiglateFL/FR
 jasmin absoluteFL/FR
(Z)-jasmoneFL/FR
 lime octenolFL/FR
 marine decadienalFR
 marine formateFR
 marine hexaneFR
 marine nitrileFR
 marine pyridineFR
2-methyl butyl isovalerateFL/FR
 methyl hexyl etherFL/FR
 methyl hexyl ketoneFL/FR
para-methyl hydratropaldehydeFL/FR
1-methyl pyrroleFL
 muguet carboxaldehydeFR
 myrtenyl acetateFL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 ocean carboxaldehydeFR
 orange nitrileFR
 origanum vulgare l. ssp. vulgare oil himalaya 
 patchouli indeneFR
 petitgrain bigarade oilFL/FR
beta-sesquiphellandrene 
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 rose undeceneFR
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 spathulenol 
 spruce oilFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 thyme oil wild or creepingFL/FR
 viridiflorolFL/FR
 watermelon ketoneFR
 woody ketoneFL/FR
potential uses :
 apple
 fresh
 fruit
 herbal
 ocean sea
 ocean sea shore
 woody
natural occurrence in :    note
 not found in nature  

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