leerall
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Notes :
Gives good body. waxy floral fruity accord: 0.05 - leerall 0.01 - aldehyde C-14 0.05 - aldehyde C18 10% 0.01 - musk gx 0.01 - raspberry ketone 10% 0.01 - aldehyde C-16 10%
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
InChI :InChI=1/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3
InChIKey :ORMHZBNNECIKOH-UHFFFAOYAY
SMILES :CC(C)(CCCC1=CCC(CC1)C=O)O
cas number :31906-04-4
(EINECS) number :250-863-4
beilstein number :2046455
molar refractivity :63.23 ± 0.3 cm3
parachor :525.2 ± 6.0 cm3
index of refraction :1.527 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :25.06 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 

 
IUPAC name :3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
InChI :InChI=1/C13H22O2/c1-13(2,15)8-4-7-11-5-3-6-12(9-11)10-14/h5,10,12,15H,3-4,6-9H2,1-2H3
InChIKey :OLXLPKQCGWYRFQ-UHFFFAOYAN
SMILES :CC(C)(CCCC1=CCCC(C1)C=O)O
cas number :51414-25-6
(EINECS) number :257-187-9
molar refractivity :63.23 ± 0.3 cm3
parachor :525.2 ± 6.0 cm3
index of refraction :1.527 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :25.06 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 

 
export tariff code :2912.30.0000
fda reg :unspecified

Suppliers :
Berje :Lyral™
IFF :Lyral®
≥98% (sum of isomers)
Odor:  Floral, Muguet, Aldehydic
Soft delicate, floral, lily, cyclamen, lilac note reminiscent of hydroxycitronellal. Extroadinary tenacity and diffusivity. A powerful blending agent giving richness throughout all dryout phases of a perfume composition.
John D. Walsh :Lyral
Moellhausen :kovanol
97% min. artifical kosher
Odor:  floreal, cyclamen, reminiscence of hydroxycitronellal
Penta :lyral
Takasago :Kovanol
≥98%
Odor:  Sweet and floral
Used in floral fragrances, mainly muguet accords. Unique as a fine light flower tone that is extremely long lasting.

organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  
floral muguet cyclamen rhubarb woody
Luebke, William tgsc, (1986)
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.98900 to 0.99700 @ 25.00 °C.
pounds per gallon - calc. : 8.229 to 8.296
refractive index :1.48600 to 1.49300 @ 20.00 °C.
acid value : 5.00  max.  KOH/g
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 2.53
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.

safety :
most important hazard(s) :Xi - Irritant
  R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    3250.00  ul/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  11300.00  ul/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
IFRA critical Effect :Sensitization
Fragrance usage is IFRA RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :
See Note (1)
0.11 % (1)Category 2 : 0.15 %
Category 3 : 0.60 %Category 4 : 1.50 %
Category 5 : 1.00 %Category 6 :
See Note (1)
2.90 % (1)
Category 7 : 0.30 %Category 8 : 1.50 %
Category 9 : 1.50 %Category 10 : 1.50 %
Category 11 :See Note (2)
 Notes :
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

recommendation for leerall flavor usage levels up to :
 not for flavor use.

safety references :
msds :msds
EPI System :view
IFRA :IFRA - ( Found under : 3 and 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1- )
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 
4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
(EINECS) number :250-863-4
RTECS :GW2850000 for cas# 31906-04-4
chemidplus :031906044
EPA Substance Registry Services :31906-04-4
 
 
 
3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
(EINECS) number :257-187-9
chemidplus :051414256
EPA Substance Registry Services :51414-25-6

references :
 
4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook :31906044
pubchem :668391
 
3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
pubchem :739629

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
 C of A
synonyms :
4-(4-hydroxy-4-methyl pentyl) cyclohex-3-ene carbaldehyde
3-(4-hydroxy-4-methyl pentyl) cyclohex-3-ene-1-carbaldehyde
3 and 4-(4-hydroxy-4-methyl pentyl)-3-cyclohexene-1-carboxaldehyde
4-(4-hydroxy-4-methyl pentyl)-3-cyclohexene-1-carboxaldehyde
4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
 hydroxyisohexyl 3-cyclohexene carboxaldehyde
4,4-hydroxymethyl pentyl cyclohexene carbaldehyde
 kovanol
 landolal
 leerall
 lyral
 mugonal

soluble in :
 alcohol
 water, very slightly

insoluble in :
 paraffin oil
 water

stability :
 alcoholic fine fragrance, good
 alcoholic lotion
 antiperspirant, good
 deo stick
 detergent perborate
 fabric softener, good
 hard surface cleaner
 liquid detergent
 shampoo
 soap, good

potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetoinFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 amber carbinolFR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/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 cinnamateFL/FR
 caraway seed oilFL/FR
 cardamom seed oilFL/FR
 carnation absoluteFR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanalFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fennel seed oilFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetateFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl acetophenoneFL/FR
 methyl anthranilateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 methyl phenyl acetateFL/FR
2-methyl undecanalFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
(Z)-5-octen-1-olFL/FR
 orange oilFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 spearmint oilFL/FR
 spruce oilFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
 tangerine oilFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR

potential uses :
 acacia
 agrumen
 aldehydic
 almond
 almond blossom
 alpine bouquet
 amber
 ambergris
 ambrette
 angel
 angelica
 animal
 apple
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 ash mountain ash berry
 balsam
 banana
 bark
 bay rum
 bayberry
 bergamot
 blackberry
 blueberry
 blueberry whortleberry red whortleberry
 bois de rose rosewood
 botanical
 bouquet
 boxwood blossom
 boysenberry
 bramble arctic bramble blackberry
 briar sweet briar eglantine
 broom genet genista
 bubblegum
 burberry
 butterscotch
 calamus
 caramel
 carnation dianthus oeillet
 cassia blossom
 cassie acacia farnesiana
 cedar forest
 cedarleaf
 cherry
 cherry blossom
 chypre
 citrus
 civet
 clematis
 cloth clean cloths
 cloudberry bakeapple
 clove blossom
 clover trefle le'trefle incarnat
 colonia
 costus
 crabapple blossom
 cranberry
 cucumber
 curacao
 currant
 cyclamen
 daffodil narcissus
 dillenia
 elder blossom
 elderberry
 fagonia
 fantasy blends
 fern fougere
 fetes
 fidji
 fig
 fir balsam
 fir needle
 floral
 florida breeze
 foliage
 forest
 frangipanni plumeria
 freesia
 galbanum
 gardenia
 geranium
 ginger
 ginger white ginger
 gingergrass
 gooseberry
 grape
 grapefruit
 greenhouse
 guaiacwood
 guava
 heather
 herbal
 hibiscus
 hollyberry
 honeysuckle chevrefeuille
 huckleberry bilberry
 hyacinth jacinthe
 hydrangea
 iris blossom
 ivy leaf
 jackfruit
 jasmin
 jonquil narcissus jonquilla
 joop
 juniperberry
 kewda
 kiwi
 kiwi blossom
 kumquat
 lavandin
 lavender
 leather
 lemon
 lemongrass
 lilac lilas syringa
 lily
 lime
 linaloe wood
 linden blossom limeflower tilleul
 loganberry dewberry
 lotus
 lychee soapberry
 magnolia
 mango
 mango blossom
 meadow
 melon watermelon muskmelon cantaloupe
 millefleurs
 mimosa wattle
 mint
 muguet lily of the valley
 mulberry
 musk
 narcissus narcisse
 neroli
 new car
 ocean sea
 orange
 orange blossom fleur d'oranger
 orchid
 outdoors fresh outdoors
 pansy
 papaya
 passion blossom
 passion fruit
 peach
 peach blossom
 pear
 pear blossom
 pear prickly pear
 peony
 pert plus
 petal flower petal
 petitgrain bergamot petitgrain
 petitgrain lime petitgrain
 petunia
 phlox
 pina colada
 pineapple
 plum
 plum blossom
 plum mirabille blossom
 pomegranate
 poppy
 potpourri
 praline
 privet
 privet blossom
 quince
 raspberry
 rhubarb
 rose
 rose tea rose
 rose white rose
 rose wild rose
 saffron
 sandalwood
 spice
 starfruit
 stock evening scented stock
 strawberry
 sweet pea pois de senteur
 tangerine
 tea
 tide
 toffee
 tropical
 tuberose tubereuse
 tulip
 vanilla
 violet
 violet leaf
 wallflower giroflee
 wintergreen
 wistaria wisteria glycine
 woody
 yew
 ylang ylang cananga

natural occurrence in :    note
data pagenot found in nature  



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