myrmac aldehyde
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Notes :
Fresh outdoors booster.
 
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IUPAC name :1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
InChI :InChI=1/C14H22O/c1-12(2)6-4-7-13-8-5-9-14(3,10-13)11-15/h6,8,11H,4-5,7,9-10H2,1-3H3
InChIKey :MBVBLQFHVRGNLW-UHFFFAOYAJ
SMILES :CC(=CCCC1=CCCC(C1)(C)C=O)C
cas number :52474-60-9
(EINECS) number :257-941-7
molar refractivity :66.25 ± 0.3 cm3
parachor :534.1 ± 6.0 cm3
index of refraction :1.514 ± 0.02
surface tension :34.9 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :26.26 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 206.3238800 (IUPAC)
formula :C14 H22 O
NMR Predictor :Predict
 
 
export tariff code :2912.29.0000
fda reg :unspecified
Suppliers :
IFF :Precyclemone B
≥98% (sum of isomers)
Odor:  Fresh, Aldehydic, Floral
Clean, tenacious, ozone note with aldehydic warmth and diffusion. Booster for fragrances requiring fresh outdoors effect.
John D. Walsh :Precyclemone B
Penta :precyclemone B
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		citrus ozone aldehydic grapefruit muguet
Luebke, William tgsc, (1995)
odor sample from :International Flavors & Fragrances Inc.
substantivity :104  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91400 to 0.92200 @ 25.00 °C.
pounds per gallon - calc. : 7.605 to 7.672
specific gravity :0.91500 to 0.92300 @ 20.00 °C.
pounds per gallon - calc. : 7.623 to 7.689
refractive index :1.48300 to 1.48800 @ 20.00 °C.
boiling point : 279.00 to 280.00 °C. @ 760.00 mm Hg
acid value : 10.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.19
safety :
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for myrmac aldehyde fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for myrmac aldehyde flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
(EINECS) number :257-941-7
chemidplus :052474609
EPA Substance Registry Services :52474-60-9
references :
 
1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
pubchem :681100
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
3-cyclohexene-1-carboxaldehyde methyl-4-(4-methyl-3-pentenyl)
 methyl methyl pentenyl cyclohexene-1-carbaldehyde
1-methyl-3-(4-methyl-3-pentenyl) cyclohex-3-ene-1-carbaldehyde
1-methyl-3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
1-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
 myrmac aldehyde
 precyclemone B
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 deo stick
 fabric softener
 shampoo
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
2-acetyl furanFL/FR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 almond oilFL/FR
 amber carbinolFR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
para-anisyl acetateFL/FR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl salicylateFL/FR
 carrot seed oilFL/FR
 cedarleaf oilFL/FR
 cedarwood oils 
 chamomile oilFL/FR
 cinnamyl alcoholFL/FR
 citralFL/FR
 citronella oils 
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 decanalFL/FR
9-decen-1-alFL/FR
 diethyl malonateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl octandiol 
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 eucalyptus oilFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropyl diethyl acetalFR
 herbal undecanoneFR
(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 formateFL/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
 ho leaf oilFR
 hyacinth etherFR
 ionones 
 juniper berry oilFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lemon oilFL/FR
 lemongrass oilFL/FR
 lime oilFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba oilFL/FR
 marine pyridineFR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl benzoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
2-methyl undecanalFL/FR
 methyl undecylenateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanalFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 octanalFL/FR
 orange oilFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 spruce oilFL/FR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 waxy aldehydeFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 aldehydic
 citrus
 diffusion
 floral
 grapefruit
 muguet lily of the valley
 ocean sea
 outdoors fresh outdoors
 ozone
 woody
natural occurrence in :    note
 not found in nature  

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