heliotropyl diethyl acetal
piperonyl diethyl acetal

Sponsors

Name: 5-(diethoxymethyl)-1,3-benzodioxole
CAS Number: 40527-42-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 254-956-0
Nikkaji Web: J50.700H
Beilstein Number: 0085612
XlogP3: 2.30 (est)
Molecular Weight: 224.25632000
Formula: C12 H16 O4
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Pubchem Patents: Search
 
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.11300 to 1.12100 @ 20.00 °C.
Pounds per Gallon - est.: 9.272 to 9.339
Boiling Point: 276.00 to 277.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.008000 mm/Hg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 3.078 (est)
Soluble in:
 alcohol
 water, 247.3 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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propionaldehyde diethyl acetal
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undecanal diethyl acetal
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isovaleraldehyde diethyl acetal
 
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
Substantivity: 88 hour(s) at 100.00 %
 floral sweet spicy heliotrope spicy
Odor Description:
at 100.00 %.
mild floral sweet spicy meadow sweet
Luebke, William tgsc, (1997)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Diffusions Aromatiques
HELIOTROPINE DIETHYL ACETAL
Ernesto Ventós
HELIOTROPINE DIETHYL ACETAL SYNAROME
Inoue Perfumery
PIPERONAL DIETHYL ACETAL
Pell Wall Perfumes
Heliotropine Diethyl Acetal
Penta International
HELOITROPIN DIETHYL ACETAL
 
Safety Information:
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LDLo 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 396, 1955.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for heliotropyl diethyl acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for heliotropyl diethyl acetal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 40527-42-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 95136
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 5-(diethoxymethyl)-1,3-benzodioxole
Chemidplus: 0040527422
 
References:
 5-(diethoxymethyl)-1,3-benzodioxole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 40527-42-2
Pubchem (cid): 95136
Pubchem (sid): 135054531
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2932.29.6550
ChemSpider: View
 
Potential Blenders and core components note
For Odor
No odor group found for these
robinia pseudoacacia absolute
FR
amber
amber
cistus ladaniferus resinoid
FR
animal
animal carbolactone
FR
iso
butyl quinoline
FR
balsamic
brachyleana hutchinsii wood oil
FR
fir balsam absolute
FR
khella oil
FR
floral
cassis specialty
FR
floral pyranol
FR
ho leaf oil
FR
hyacinth ether
FR
jonquil absolute
FR
jonquil absolute replacer
FR
leerall
FR
lilac specialty
FR
ortho-
methoxybenzyl ethyl ether
FR
1-(2-
methyl allyl oxy)-2-methyl butane
FR
bitter
orangeflower concrete morocco
FR
orris pyridine 25% IPM
FR
phenyl propyl phenyl acetate
FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
rose concrete (rosa damascena)
FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
cyclohexyl crotonate
FR
green acetate
FR
fungal
jasmin nonane
FR
green
hexoxyacetaldehyde dimethyl acetal
FR
octyl oxyacetaldehyde
FR
hay
hay absolute
FR
herbal
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
elder flower absolute (sambucus canadensis and s. nigra)
FR
mossy
veramoss (IFF)
FR
musk
musk gx 100%
FR
musk gx 50% in BB
FR
musk gx 50% in DEP
FR
spicy
iso
cyclogeraniol (IFF)
FR
tonka
coumarin
FR
tonka bean absolute
FR
woody
amber carbinol
FR
dalbergia sissoo leaf oil
FR
gurjun balsam oil
FR
hinoki root oil
FR
patchouli ethanone
FR
santall
FR
tobacarol (IFF)
FR
4,6,11-
trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-ene
FR
woody acetate
FR
For Flavor
 
Potential Uses:
 amberFR
 gardeniaFR
 hawthornFR
 hay new mown hay foin coupeFR
 heliotropeFR
 jasminFR
 lilac lilas syringaFR
 meadowsweet spiraeaFR
 muguet lily of the valleyFR
 spiceFR
 tonka beanFR
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
1,3-benzodioxole, 5-(diethoxymethyl)
5-diethoxymethyl-1,3-benzodioxole
5-(diethoxymethyl)-1,3-benzodioxole
 heliotropin DEA
 heliotropin diethyl acetal
 heloitropin diethyl acetal
 piperonal diethyl acetal
 piperonal, diethyl acetal
 piperonyl diethyl acetal
 

Articles:

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Notes:
Blends well with almost anything.
 
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