hyacinth acetal
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IUPAC name :2-(phenylmethyl)-1,3-dioxan-5-ol
InChI :InChI=1/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey :SCBQUBIXYNMXER-UHFFFAOYAX
SMILES :C1C(COC(O1)CC2=CC=CC=C2)O
cas number :29895-73-6
(EINECS) number :249-934-2
fema number :2877
coe number :41
jecfa number :1004
fl. number :06.007
molar refractivity :52.41 ± 0.3 cm3
parachor :427.1 ± 4.0 cm3
index of refraction :1.552 ± 0.02
surface tension :46.2 ± 3.0 dyne/cm
density :1.185 ± 0.06 g/cm3
polarizability :20.77 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 194.2270600 (IUPAC)
formula :C11 H14 O3
NMR Predictor :Predict
 

 
IUPAC name :[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol
InChI :InChI=1/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey :ZPENOSKWEKGDCX-UHFFFAOYAC
SMILES :C1C(OC(O1)CC2=CC=CC=C2)CO
cas number :5694-72-4
(EINECS) number :227-164-8
fema number :2877
molar refractivity :52.44 ± 0.3 cm3
parachor :441.4 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :48.0 ± 3.0 dyne/cm
density :1.158 ± 0.06 g/cm3
polarizability :20.78 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 194.2270600 (IUPAC)
formula :C11 H14 O3
NMR Predictor :Predict
 

 
IUPAC name :2-(cyclohexylmethyl)-1,3-dioxan-5-ol
InChI :InChI=1/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey :SCBQUBIXYNMXER-UHFFFAOYAX
SMILES :C1C(COC(O1)CC2=CC=CC=C2)O
cas number :4740-79-8
(EINECS) number :225-249-4
fema number :2877
molar refractivity :52.41 ± 0.3 cm3
parachor :427.1 ± 4.0 cm3
index of refraction :1.552 ± 0.02
surface tension :46.2 ± 3.0 dyne/cm
density :1.185 ± 0.06 g/cm3
polarizability :20.77 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 194.2270600 (IUPAC)
formula :C11 H14 O3
NMR Predictor :Predict
 

 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Givaudan :Acetal CD
Odor:  Floral, Green, Honey, Rosy
Acetal CD blends well with floral notes such as hyacinth, rose and lilac, with green accords, and with linden blossom and chypre compositions.
Inoue :PHENYL ACETALDEHYDE GLYCERYL ACETAL
Moellhausen :CD acetal
95% min. artifical kosher
Odor:  green floral (hyacinth, rose, cyclamen), with a honey and mushroom connotation
Flavor:  aromatic, herbaceous, floral
Penta :acetal CD
Vigon :Acetal CD Phenyl Acetaldehyde Glyceryl Acetal
Odor:  GREEN, FLORAL, HONEY-LIKE

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
floral honey cyclamen rose leaf

properties :
appearence :colorless clear slightly viscous liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.15800 to 1.16800 @ 25.00 °C.
pounds per gallon - calc. : 9.636 to 9.719
specific gravity :1.15400 to 1.16200 @ 20.00 °C.
pounds per gallon - calc. : 9.614 to 9.680
refractive index :1.52400 to 1.53600 @ 20.00 °C.
boiling point : 358.00 °C. @ 760.00 mm Hg
vapor pressure :0.00130 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 0.95

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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.
Human experience : 3 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for hyacinth acetal fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for hyacinth acetal flavor usage levels up to :
  25.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-(phenylmethyl)-1,3-dioxan-5-ol
(EINECS) number :249-934-2
chemidplus :004740798
EPA Substance Registry Services :29895-73-6
 
 
 
[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol
(EINECS) number :227-164-8
chemidplus :005694724
EPA Substance Registry Services :5694-72-4
 
 
 
2-(cyclohexylmethyl)-1,3-dioxan-5-ol
(EINECS) number :225-249-4
chemidplus :004740798
EPA Substance Registry Services :4740-79-8

references :
 
2-(phenylmethyl)-1,3-dioxan-5-ol
fl. number :06.007
jecfa number :1004
pubchem :655506
 
[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanol
pubchem :164605
 
2-(cyclohexylmethyl)-1,3-dioxan-5-ol
pubchem :655506

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 acetal CD
 benzene acetaldehyde cyclic acetal with 1,2,3-propane triol
 benzene acetaldehyde cyclic acetal with glycerol
 CD acetal
 hyacinth acetal
 phenyl acetaldehyde glycerine acetal
 phenyl acetaldehyde glyceryl acetal
 phenyl acetaldehyde glyceryl cyclic acetals
 phenylacetaldehyde glyceryl acetal
2-(phenylmethyl)-1,3-dioxan-5-ol

soluble in :
 alcohol
 water, 2618 mg/L @ 20C

insoluble in :
 water

stability :
 soap

potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
1-acetyl cyclohexyl acetateFL
 algae absoluteFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 carrot seed oilFL/FR
 champaca flower oilFR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
(R)-(+)-beta-citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 clary sage oilFL/FR
 clover nitrileFR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
para-cresyl caprylateFL/FR
para-cresyl phenyl acetateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclamen propanalFR
2-cyclohexyl cyclohexanoneCS
 cyclohexyl ethyl alcoholFL/FR
 decanalFL/FR
9-decen-1-olFL/FR
 decyl formateFR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 dimethyl salicylateFL/FR
 ethyl heptanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl laurateFL/FR
 ethyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 galbanum ketoneFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 geranyl acetoneFL/FR
 grapefruit pentanolFR
 green acetateFR
 green etherFL/FR
 heliotropyl acetoneFL/FR
 heptyl cinnamateFL/FR
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 honeysuckle absoluteFR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
 hyacinth etherFR
 ionones 
2,4-ivy carbaldehydeFL/FR
 kewda absolute 
 kewda oil 
 leaf acetalFL/FR
 leafy acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 methyl phenyl acetateFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 muguet undecadienalFR
beta-naphthyl ethyl etherFL/FR
 narcissus absoluteFR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octanal dimethyl acetalFL/FR
 orange oilFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl formateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl oxyacetaldehydeFR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenethyl valerateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde dimethyl acetalFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 phenyl glycol diacetateFR
2-phenyl propionaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
 phenyl propyl phenyl acetateFL/FR
3-phenyl propyl propionateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
isopropyl phenyl acetateFL/FR
 raspberry ketoneFL/FR
 reseda acetalFR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 satinaldehydeFL/FR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
 styralyl alcoholFL/FR
 tea acetateFR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
10-undecen-1-alFL/FR
 verbena oilFL
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR

potential uses :
 calandre
 chypre
 cyclamen
 earth humus
 green
 hyacinth jacinthe
 lilac lilas syringa
 linden blossom limeflower tilleul
 mushroom
 rose

natural occurrence in :    note
 not found in nature  

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