myrtenal
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IUPAC name :7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
InChI :InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
InChIKey :KMRMUZKLFIEVAO-UHFFFAOYAU
SMILES :CC1(C2CC=C(C1C2)C=O)C
cas number :564-94-3
(EINECS) number :209-274-8
beilstein number :2961587
fema number :3395
coe number :10379
jecfa number :980
fl. number :05.106
molar refractivity :45.86 ± 0.3 cm3
parachor :356.4 ± 6.0 cm3
index of refraction :1.561 ± 0.02
surface tension :40.2 ± 3.0 dyne/cm
density :1.061 ± 0.06 g/cm3
polarizability :18.18 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 150.2175600
formula :C10 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nippon Terpene :Myrtenal
93% up
Penta :myrtenal
Sigma-Aldrich-SAFC :(1R)-(-)-Myrtenal
≥97%, Kosher
Odor:  berry; honey; lime; vanilla; woody; pepper; minty
organoleptics :
odor type :spicy
odor strength :medium
odor description :¹
at 100.00 %.  		sweet cinnamon tonka spicy terpene camphor jam
odor sample from :Sigma-Aldrich Inc.
substantivity :48  Hour(s)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98700 @ 25.00 °C.
refractive index :1.50390 @ 20.00 °C.
boiling point : 220.00 to 221.00 °C. @ 760.00 mm Hg
boiling point : 99.00 to 100.00 °C. @ 15.00 mm Hg
flash point : 174.00  °F.  TCC  ( 78.89 °C. )
logP (o/w) : 2.98
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) :
  Oral-Rat    2300.00  mg/kg

intravenous-Mouse    170.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for myrtenal usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for myrtenal usage levels up to :
  30.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
(EINECS) number :209-274-8
RTECS :DT5180000 for 564-94-3
chemidplus :000564943
EPA Substance Registry Services :564-94-3
dtp/nci :54384
references :
 7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
fl. number :05.106
jecfa number :980
NIST Chemistry WebBook :298720437
pubchem :197382
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1996)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 benihinal
6,6-dimethyl bicyclo(3.1.1)hept-2-ene-2-carboxaldehyde
6,6-dimethyl-2-norpinene-2-carboxaldehyde
7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
2-formyl-6,6-dimethyl bicyclo(3.1.1)hept-2-ene
(1R)-(-)-myrtenal
 pin-2-ene-1-carbaldehyde
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl isovalerate
6-amyl-alpha-pyrone
para-anisyl acetate
 benzylidene acetone
 campholene acetate
 canella bark oil
 cassia bark oil
 cassia leaf oil china
 cassia oleoresin
 cinnamaldehyde
(E)-cinnamaldehyde
(Z)-cinnamaldehyde
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamaldehyde ethylene glycol acetal
 cinnamon acrolein
 cinnamon bark oil
 cinnamon bark oil (cinnamomum zeylanicum blume) india
 cinnamon leaf oil
 cinnamon oleoresin
 cinnamyl acetate
 cinnamyl nitrile
(E)-cinnamyl nitrile
 coconut decanone
 coconut naphthalenone
 coumane
 coumarin
 cyperus root oil
 deertongue absolute
 deertongue oleoresin
 dehydromenthofurolactone
 dihydrocoumarin
isoeugenyl phenyl acetate
 flouve absolute
 furfural acetone
2-furfurylidene butyraldehyde
 hay absolute
(E,E)-2,4-heptadien-1-al
gamma-heptalactone
 immortelle absolute
 lovage oleoresin
(E)-para-methoxycinnamaldehyde
ortho-methoxycinnamaldehyde
para-methoxycinnamaldehyde
alpha-methyl cinnamaldehyde
para-methyl cinnamaldehyde
 methyl cinnamate
7-methyl coumarin
 methyl coumarins
 methyl eugenol
 methyl heptadienone
6-methyl quinoline
 octahydrocoumarin
 phenoxyethanol
2-phenoxyethyl formate
3-phenyl propyl acetate
 phthalide
 pimenta leaf oil
 pine needle absolute
 syringaldehyde
 tonka bean absolute
 tonka bean oleoresin
 tonka bean resinoid
 tonka furanone
 tonka ketone
 tonka undecanone
 tonkavert
 vanillyl alcohol
 whiskey lactone
(odor and/or flavor) used in :
 amber
 balsam
 berry
 cinnamon
 dry
 hawthorn
 hay new mown hay foin coupe
 lime
 melon watermelon muskmelon cantaloupe
 mint
 myrtle
 oral care agents
 spice
 woody
natural occurrence in :
data pageamomum testaceum ridl. fruit oil malaysia @ 12.70%
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.40%
data pageartemisia variabilis flower oil italy @ trace%
data pageboldo leaf oil italy @ trace%
data pagechamomile oil @ 0.67%
data pagecistus oil @ 0.9%
data pagecoriander seed oil cuba @ 0.16%
cumin seed
data pagecypress cone oil egypt @ 0.1%
data pagecypress oil @ trace%
eucalyptus
data pageeucalyptus globulus pseudoglobulus oil @ 0.11%
data pagelabdanum leaf oil @ 0.50%
data pagelabdanum oil @ 1.35%
data pagelaurel leaf oil turkey @ 0.40%
data pagelayana oil kenya @ trace%
data pagelemon verbena oil morocco @ 0.2%
mint
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.20%
data pagenepeta denudata benth. oil iran @ 3.40%
data pageparsley leaf oil @ 0.05%
pepper
data pagepetitgrain sweet oil @ 0.50%
data pagepeucedanum petiolare (dc) boiss oil iran @ 0.20%
data pagepteronia oil @ 0.50%
data pagesantolina oil @ 3.82%
data pagesatureja viminea l. oil costa rica @ 0.20%
data pagetansy oil marocco @ 0.10%
data pagewormwood flower oil annus america @ 0.40%
data pagewormwood leaf oil annus america @ 0.20-0.50%
data pagewormwood oil annus france @ trace-0.42%
data pagewormwood oil italy @ 0.1%
data pageyarrow leaf oil @ 0.60%
data pageyarrow oil @ 0.80%



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