reseda acetal
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IUPAC name :2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
InChI :InChI=1/C14H20O2/c1-11-10-14(2,3)16-13(15-11)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKey :KSEFBQCEGMTNPD-UHFFFAOYAJ
SMILES :CC1CC(OC(O1)CC2=CC=CC=C2)(C)C
cas number :67633-94-7
(EINECS) number :266-795-3
beilstein number :0134216
molar refractivity :64.85 ± 0.3 cm3
parachor :542.8 ± 4.0 cm3
index of refraction :1.487 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :0.978 ± 0.06 g/cm3
polarizability :25.70 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 220.3074000
formula :C14 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2932.99.0000
fda reg :unspecified

Suppliers :
IFF :Reseda Body
Odor:  Delicate but powerful hyacinth, narcissus, reseda note with some sweet pea, string bean and green aspects.
Inoue :PHENYL ACETALDEHYDE HG ACETAL
John D. Walsh :Reseda Body
Penta :reseda body

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
hyacinth narcissus reseda sweet pea green bean
substantivity :36  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99200 to 1.00000 @ 25.00 °C.
pounds per gallon - calc. : 8.254 to 8.321
specific gravity :0.99300 to 1.00100 @ 20.00 °C.
pounds per gallon - calc. : 8.272 to 8.339
refractive index :1.49500 to 1.50000 @ 20.00 °C.
boiling point : 292.00 to 293.00 °C. @ 760.00 mm Hg
flash point : 201.00  °F.  TCC  ( 93.89 °C. )
logP (o/w) : 3.39

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
Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 103S, 1992.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for reseda acetal usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for reseda acetal 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-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
(EINECS) number :266-795-3
chemidplus :067633947
EPA Substance Registry Services :67633-94-7
dtp/nci :26387

references :
 2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
pubchem :672410

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
2-benzyl-4,4,6-trimethyl-1,3-dioxane
2-benzyl-4,4,6-trimethyl-meta-dioxane
2-(cyclohexylmethyl)-4,4,6-trimethyl-1,3-dioxane
2,4-O-phenethylidene(2-methyl) pentylene-2,4-diol
 phenyl acetaldehyde 2,4-dihydroxy-2-methyl pentane acetal
 phenyl acetaldehyde hexylene glycol cyclic acetal
2-(phenyl methyl)-4,4,6-trimethyl-1,3-dioxane
 phenylacetaldehyde hexylene glycol cyclic acetal
 reseda body
 reseda tone
4,4,6-trimethyl-2-benzyl-1,3-dioxane

soluble in :
 alcohol

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 amber carbinol
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisyl alcohol
 benzoin resinoid
 benzyl acetate
 benzyl propionate
 benzyl salicylate
 bois de rose oil
 cinnamyl alcohol
 citronellol
 clove bud oil
 clover nitrile
 coriander seed oil
 cyclohexyl ethyl alcohol
 decanol
9-decen-1-ol
 dihydrojasmone
 dimethyl benzyl carbinol
 dimethyl hydroquinone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl laurate
 ethyl vanillin
 floral pyranol
 gardenia oxide
 geraniol
 green acetate
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 ionones
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
3-phenyl propionaldehyde
 rhodinol
 rose butanoate
 rose oxides
 santall
alpha-terpineol
 tonka bean absolute
10-undecen-1-al
 watermelon ketone
 woody acetate
 woody amylene

(odor and/or flavor) used in :
 alliage
 amber
 costus
 green
 hyacinth jacinthe
 incense
 magnolia
 muguet lily of the valley
 narcissus narcisse
 reseda mignonette
 spice
 sweet pea pois de senteur

natural occurrence in :
not found in nature



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