heliotropyl alcohol
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :1,3-benzodioxol-5-ylmethanol
InChI :InChI=1/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
InChIKey :BHUIUXNAPJIDOG-UHFFFAOYAA
SMILES :C1OC2=C(O1)C=C(C=C2)CO
cas number :495-76-1
(EINECS) number :207-808-4
beilstein number :0136113
coe number :10306
fl. number :02.205
molar refractivity :38.86 ± 0.3 cm3
parachor :316.1 ± 4.0 cm3
index of refraction :1.594 ± 0.02
surface tension :58.2 ± 3.0 dyne/cm
density :1.329 ± 0.06 g/cm3
polarizability :15.40 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 152.1473200 (IUPAC)
formula :C8 H8 O3
BioActivity Analysis :11536912
NMR Predictor :Predict
 
 
export tariff code :2932.29.6550
fda reg :unspecified

Suppliers :
Endeavour :3,4-(Methylenedioxy)phenylmethanol
98%
Hofmen :Heliotropyl alcohol
98%
Inoue :PIPERONYL ALCOHOL
Sigma-Aldrich-Aldrich :Piperonyl alcohol
98%

organoleptics :
odor type :vanilla
odor strength :medium
odor description:
at 100.00 %.  
sweet powdery vanilla

properties :
appearence :white powder
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 54.00 to 56.00 °C. @ 760.00 mm Hg
vapor pressure :0.00254 mm/Hg @ 25.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.05

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.011 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :90 (μg/person/day)
Structure Class :III
 
recommendation for heliotropyl alcohol fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

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
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1,3-benzodioxol-5-ylmethanol
(EINECS) number :207-808-4
chemidplus :000495761
EPA Substance Registry Services :495-76-1
dtp/nci :26265

references :
 
1,3-benzodioxol-5-ylmethanol
fl. number :02.205
NIST Chemistry WebBook :2828300239
pubchem :153592

other :
synonyms :
 benzo(1,3)dioxol-5-yl methanol
1,3-benzodioxol-5-ylmethanol
1,3-benzodioxole-5-methanol
 heliotropin alcohol
5-hydroxymethyl-1,3-benzodioxole
1-hydroxymethyl-3,4-methylene dioxybenzene
3,4-(methylene dioxy) benzyl alcohol
3,4-(methylene dioxy) phenyl methanol
3,4-(methylenedioxy)phenylmethanol
 piperonal alcohol
 piperonol
 piperonyl alcohol

soluble in :
 alcohol
 water, 30500 mg/L @ 25C

insoluble in :
 water

potential blenders :
 acetanisoleFL/FR
 acetovanilloneFL/FR
 acetyl methyl anthranilateFL/FR
 amber formateFR
 ambrette seed oilFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
para-anisyl formateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzoinFL
 benzoin absolute siamFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid siamFL/FR
 benzoin resinoid sumatraFL/FR
 benzophenoneFL/FR
1-benzoyl acetoneFL/FR
 berry hexanoateFR
isobutyl benzoateFL/FR
 cherry oxyacetateFL/FR
 cinnamyl alcoholFL/FR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
para-cresyl propionaldehydeCS
 cyclohexadecanoneFR
 cyclohexyl acetic acidFL
 dianthus ethoneFR
1,2-dimethoxybenzeneFL/FR
 dimethyl alpha-iononeFL/FR
 dimethyl anthranilateFL/FR
2,4-dimethyl benzaldehydeFL/FR
 divanillinFL
alpha-ethoxy-ortho-cresolFL/FR
 ethyl cinnamateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl vanillateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 ethylene brassylateFL/FR
 furfural acetoneFL
 geranyl phenyl acetateFL/FR
 glucoethyl vanillinFL
 guaiacolFL/FR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 hawthorn acetateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(E)-beta-iononeFL/FR
pseudoiononeFL
alpha-ironeFL/FR
 menthoxypropane diolFL
2'-methoxyacetophenoneFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
4-methoxysalicylaldehydeFL
2'-methyl acetophenoneFL/FR
 methyl alpha-iononeFL/FR
para-methyl anisoleFL/FR
 methyl benzoxoleFL
6-methyl coumarinFL
4-methyl guaiacolFL/FR
para-methyl hydratropaldehydeFL/FR
iso-alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl ionyl acetateFL/FR
 methyl vanillateFL
dextro,laevo-musconeFL/FR
normusconeFR
 musk amberolFR
 musk indaneFR
 musk tetralinFR
beta-naphthyl ethyl etherFL/FR
 orris root resinoidFL/FR
 peach pivalateFR
omega-pentadecalactoneFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 phenoxyethyl isobutyrateFL/FR
4-phenyl-2-butanolFL/FR
 phthalideFL/FR
 powdery ketoneFL
 prenyl acetateFL/FR
 propenyl guaetholFL/FR
isopropyl phenyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
(+)-alpha-santalyl acetateFL/FR
 thioguaiacolFL
 timber propanolFR
 tolualdehydes (mixed o/m/p)FL/FR
2,3,5-trimethyl pyrazineFL
2,5,9-trimethyl-4,9-decadien-1-alFR
 vanilla absoluteFL/FR
 vanilla carboxylateFL/FR
 vanilla cresolFR
 vanilla resinoidFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillin 1,2-butylene glycol acetal (erythro and threo)FL/FR
 vanillin menthoxypropane diol acetalFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl butyl etherFL/FR
 vanillyl ethyl etherFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 veratraldehydeFL/FR
 vetiveryl acetateFL/FR
 woody epoxideFR
 zingeroneFL/FR

potential uses :
 fern fougere
 fir
 green
 herbal
 juniper
 powder
 tonka
 vanilla

natural occurrence in :
 not found in nature  



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010