ocean carboxaldehyde
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Notes :
Blends well with muguet notes.
 
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IUPAC name :octahydro-5-methoxy-4,7-methano-1H-indene-2-carboxaldehyde
InChI :InChI=1/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3
InChIKey :UOGMZEGKCNHMBF-UHFFFAOYAA
SMILES :COC1CC2CC1C3C2CC(C3)C=O
cas number :86803-90-9
molar refractivity :53.43 ± 0.4 cm3
parachor :439.1 ± 6.0 cm3
index of refraction :1.513 ± 0.03
surface tension :37.2 ± 5.0 dyne/cm
density :1.09 ± 0.1 g/cm3
polarizability :21.18 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 194.2701200 (IUPAC)
formula :C12 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Firmenich :SCENTENAL®
≥96%
Odor:  fresh sea breeze watery floral ozone
Vigon :Scentenal
Odor:  GREEN, MOSS

organoleptics :
odor type :marine
odor strength :medium
odor description¹ :
at 100.00 %.  
fresh sea breeze watery floral ozone
odor sample from :Chem-Fleur, Inc.
substantivity :287 hour(s) at 100.00 %

properties :
appearence :colorless clear viscous liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.07500 to 1.07900 @ 25.00 °C.
pounds per gallon - calc. : 8.945 to 8.978
refractive index :1.49900 to 1.50000 @ 20.00 °C.
boiling point : 92.00 to 100.00 °C. @ 2.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.33

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    2800.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 77S, 1992.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 77S, 1992.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
IFRA critical Effect :Sensitization
IFRA fragrance material specification :
 Should not be used such that the level in finished cosmetic products exceeds 0.5%. Based on test results showing sensitisation potential (IFRA guidelines).
Fragrance usage is 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 :0.10 % (1)Category 2 :0.20 %
Category 3 :0.80 %Category 4 :2.30 %
Category 5 :1.20 %Category 6 :3.60 % (1)
Category 7 :0.40 %Category 8 :2.00 %
Category 9 :5.00 %Category 10 :2.50 %
Category 11 :See Note 
 

(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).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case ocean carboxaldehyde) must not exceed 5% in the candle.

recommendation for ocean carboxaldehyde flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Methoxy dicylopentadiene carboxaldehyde (Scentenal) )
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 
octahydro-5-methoxy-4,7-methano-1H-indene-2-carboxaldehyde
chemidplus :086803909
EPA Substance Registry Services :86803-90-9

references :
 
octahydro-5-methoxy-4,7-methano-1H-indene-2-carboxaldehyde
pubchem :740999

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
6-methoxydicyclopentadiene carboxaldehyde
 ocean carboxaldehyde
 octahydro-5-methoxy-4,7-methano-1H-indene-2-carboxaldehyde
 scentenal

soluble in :
 alcohol

insoluble in :
 water

stability :
 antiperspirant
 cream
 deodorant spray
 shampoo
 soap

potential blenders :
 acetaldehyde ethyl phenethyl acetalFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 amber carbinolFR
isoamyl salicylateFL/FR
 amyris wood oilFR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus root oilFL
 cuminaldehydeFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
gamma-decalactoneFL/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 butyrateFL/FR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl laurateFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropyl diethyl acetalFL/FR
(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 propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 ionones 
2,4-ivy carbaldehydeFL/FR
(Z)-jasmoneFL/FR
isojasmoneFL/FR
 leaf acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 mcp acetate 
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl cedryl ketoneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl octine carbonateFL/FR
2-methyl undecanalFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musk indanoneFR
 musks 
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanalFL/FR
 nonanolFL/FR
(Z)-6-nonen-1-alFL/FR
 oakmoss absoluteFL/FR
(Z)-5-octen-1-olFL/FR
 orange oilFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 pepper oil blackFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 violet decenolFR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 woody amyleneFR

potential uses :
 agrumen
 aldehydic
 alpine bouquet
 animal
 apple blossom
 apple green apple
 ash mountain ash
 bark
 boronia
 bouquet
 boxwood
 boxwood blossom
 boysenberry
 bramble arctic bramble blackberry
 briar sweet briar eglantine
 burberry
 cabreuva
 cedar forest
 champaca champak
 cherry wild cherry
 chestnut blossom
 chypre
 cilantro
 clean
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 colonia
 cortex
 crabapple blossom
 cranberry
 cucumber
 cyclamen
 daffodil narcissus
 diorella
 evergreen
 exotic
 fagonia
 fantasy blends
 fern fougere
 fir balsam
 fir needle
 fixer
 floral
 foliage
 forest
 fresh
 galbanum
 gooseberry
 grapefruit
 green
 hay new mown hay foin coupe
 herbal
 hinoki
 hollyberry
 honeysuckle chevrefeuille
 huckleberry bilberry
 iris blossom
 ivy leaf
 jasmin
 juniperberry
 kiwi blossom
 leaf green leaf
 leather
 lemon
 lettuce
 lily
 linden blossom limeflower tilleul
 loganberry dewberry
 lotus
 lychee soapberry
 magnolia
 mango blossom
 meadow
 melon watermelon muskmelon cantaloupe
 moss
 muguet lily of the valley
 mulberry
 narcissus narcisse
 new car
 ocean sea
 ocean sea breeze
 orange bitter orange
 orchid
 oriental
 outdoors fresh outdoors
 pansy
 papaya
 passion fruit
 peach
 peach blossom
 pear prickly pear
 petunia
 phlox
 pine
 poppy
 privet blossom
 rain spring rain
 reseda mignonette
 rhubarb
 rose moss rose
 rose tea rose
 rose white rose
 rose wild rose
 saffron
 seaweed
 stephanotis
 tulip
 verbena verveine
 violet
 watery
 woody
 yew

natural occurrence in :
 not found in nature  



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