herbal carene
organoleptics  properties  safety  references  cosmetics    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
InChI :InChI=1/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h5,9-11H,6H2,1-4H3
InChIKey :DXLORVVCLBWYCC-UHFFFAOYAD
SMILES :CC1=CC2C(C2(C)C)CC1C(=O)C
cas number :3608-11-5
(EINECS) number :222-771-4
molar refractivity :53.16 ± 0.3 cm3
parachor :430.8 ± 6.0 cm3
index of refraction :1.483 ± 0.02
surface tension :28.6 ± 3.0 dyne/cm
density :0.957 ± 0.06 g/cm3
polarizability :21.07 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 178.2707200
formula :C12 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
herbal dry woody clary sage thyme petitgrain
odor sample from :International Flavors & Fragrances Inc.
substantivity :28  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 80.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94600 to 0.95600 @ 25.00 °C.
pounds per gallon - calc. : 7.872 to 7.955
specific gravity :0.94700 to 0.95700 @ 20.00 °C.
pounds per gallon - calc. : 7.889 to 7.972
refractive index :1.48400 to 1.49000 @ 20.00 °C.
flash point : 170.00  °F.  TCC  ( 76.67 °C. )
logP (o/w) : 3.04

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for herbal carene usage levels up to :
  25.0000 % in the fragrance concentrate.
recommendation for herbal carene usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
(EINECS) number :222-771-4
chemidplus :003608115
EPA Substance Registry Services :3608-11-5

references :
 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
pubchem :684336

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1991)¹
CosIng :cosmetic data
synonyms :
4-acetyl-2-carene
 car-2-en-4-yl methyl ketone
 carenko
2-carenyl methyl ketone
 dragon
para-landenone
1-(4,7,7-trimethyl bicyclo(4.1.0)hept-4-en-3-yl) ethanone
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
3,7,7-trimethyl-4-acetyl bicyclo(4.1.0)hept-2-ene

soluble in :
 alcohol
 dipropylene glycol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoxymethyl isolongifolene
isoamyl salicylate
 anise indene
3-benzyl-4-heptanone
 bergamot mint oil
 bigarade oxide
isoborneol
 bornyl 2-methyl butyrate
isobornyl acetate
 bornyl butyrate
beta-bourbonene
 butyl anthranilate
delta-cadinene
gamma-cadinene
alpha-cadinol
 camphene
dextro-camphor
 cassis bud oil
 champaca flower oil
 cinnamon acrolein
 cistus oil
 citronellyl anthranilate
 clary acetate
 clary propyl acetate
 clary sage oil greece
 clary sage oil sardinia
 clary sage oil spain
 clary sage resin
 coriander heptenol
 coriander oleoresin
 costmary oil
 currant bud absolute black
 cyclamen aldehyde / methyl anthranilate schiff's base
isocyclocitral
 cyclohexyl anthranilate
 decanal dimethyl acetal
(E)-2-decen-1-al
 decyl anthranilate
8,9-dehydrotheaspirone
1,3-dimethoxybenzene
 dimethyl anthranilate
 dimethyl benzyl carbinyl formate
 ethyl ethyl anthranilate
 ethyl methyl anthranilate
 farnesene
 formoxymethyl isolongifolene
 geranyl anthranilate
 geranyl formate
 guaiene
 herbal undecanone
 hydroxymethyl isolongifolene 50% in dpg
 immortelle flower oil
(Z)-jasmone
 karo karounde absolute
 lavender oil france
 lavender oil greece
 lime oil distilled terpeneless
 linalyl cinnamate
 linalyl phenyl acetate
 marine formate
 methyl anthranilate
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
alpha-methylene citronellal
gamma-muurolene
beta-naphthyl anthranilate
beta-naphthyl methyl ether
beta-naphthyl methyl ketone
 nerol
 neroli oil
 neroli oil CO2 extract
 nerolidyl acetate
 nonisyl propionate
 ocimene oxirane
 orangeflower water absolute
 origanum vulgare l. ssp. vulgare oil himalaya
 parsley leaf oil
 patchouli indene
 pennyroyal oil
 petitgrain bigarade oil
 petitgrain cedrat oil
 petitgrain combava oil
 petitgrain heptane
 petitgrain oil
(E)-2-phenyl-1(2)-propene-1-yl acetate
 polylimonene
 prenyl salicylate
isopropyl anthranilate
4-isopropyl-2-cyclohexenone
 tansy leaf oil dutch
 tansy oil argentina
 tea leaf absolute
 thyme oil wild or creeping
 tricyclodecenyl propionate
 woody ketone
 ylang ylang oil

(odor and/or flavor) used in :
 cedar
 clary sage
 dry
 earth humus
 herbal
 petitgrain
 thyme
 woody

natural occurrence in :
not found in nature



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