heliotropyl alcohol
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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%
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 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

(odor and/or flavor) blends with :
 acetanisole
 acetovanillone
 acetyl methyl anthranilate
 amber formate
 ambrette seed oil
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
para-anisyl acetate
para-anisyl alcohol
para-anisyl formate
 anisyl propanal / methyl anthranilate schiff's base
 benzoin
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resinoid
 benzoin resinoid siam
 benzoin resinoid sumatra
 benzophenone
1-benzoyl acetone
 berry hexanoate
isobutyl benzoate
 cherry oxyacetate
 cinnamyl alcohol
 cocoa butenal
 cocoa pentenal
 coumane
 coumarin
para-cresyl laurate
para-cresyl propionaldehyde
 cyclohexadecanone
 cyclohexyl acetic acid
 dianthus ethone
1,2-dimethoxybenzene
 dimethyl alpha-ionone
 dimethyl anthranilate
2,4-dimethyl benzaldehyde
 divanillin
alpha-ethoxy-ortho-cresol
 ethyl cinnamate
 ethyl methyl-para-tolyl glycidate
 ethyl vanillate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 ethylene brassylate
 furfural acetone
 geranyl phenyl acetate
 glucoethyl vanillin
 guaiacol
 guaiacwood oil
 guaiacyl acetate
 hawthorn acetate
 heliotropin
 heliotropyl acetone
(E)-beta-ionone
pseudoionone
alpha-irone
 menthoxypropane diol
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
4-methoxysalicylaldehyde
2'-methyl acetophenone
 methyl alpha-ionone
para-methyl anisole
 methyl benzoxole
6-methyl coumarin
4-methyl guaiacol
para-methyl hydratropaldehyde
iso-alpha-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionyl acetate
 methyl vanillate
dextro,laevo-muscone
normuscone
 musk amberol
 musk indane
 musk tetralin
beta-naphthyl ethyl ether
 orris root resinoid
 peach pivalate
omega-pentadecalactone
 peru balsam oil
 peru balsam resinoid
 phenoxyethyl isobutyrate
4-phenyl-2-butanol
 phthalide
 powdery ketone
 prenyl acetate
 propenyl guaethol
isopropyl phenyl acetate
 rhodinol
 rhodinyl phenyl acetate
(+)-alpha-santalyl acetate
 thioguaiacol
 timber propanol
 tolualdehydes (mixed o/m/p)
2,3,5-trimethyl pyrazine
2,5,9-trimethyl-4,9-decadien-1-al
 vanilla absolute
 vanilla carboxylate
 vanilla cresol
 vanilla resinoid
 vanillic acid
 vanillin
 vanillin 1,2-butylene glycol acetal (erythro and threo)
 vanillin menthoxypropane diol acetal
 vanillin propylene glycol acetal
 vanillyl acetate
 vanillyl alcohol
 vanillyl butyl ether
 vanillyl ethyl ether
 vanillyl isobutyrate
 vanillylidene acetone
 veratraldehyde
 vetiveryl acetate
 woody epoxide
 zingerone

(odor and/or flavor) used in :
 fern fougere
 fir
 green
 herbal
 juniper
 powder
 tonka
 vanilla

natural occurrence in :
not found in nature



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