alpha-campholenic aldehyde
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IUPAC name :1-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanone
InChI :InChI=1/C10H16O/c1-7-5-6-9(8(2)11)10(7,3)4/h5,9H,6H2,1-4H3
InChIKey :YXGUBJPWGFKWQA-UHFFFAOYAY
SMILES :CC1=CCC(C1(C)C)C(=O)C
cas number :4501-58-0
(EINECS) number :224-815-8
fema number :3592
coe number :10325
jecfa number :967
fl. number :05.119
molar refractivity :45.89 ± 0.3 cm3
parachor :384.2 ± 6.0 cm3
index of refraction :1.453 ± 0.02
surface tension :26.3 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :18.19 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 152.2334400
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
herbal green woody amber leafy
odor sample from :Fragrance Resources Inc.
substantivity :8  Hour(s)

properties :
appearence :pale yellow clear liquid
assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94500 to 0.95500 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.947
refractive index :1.46500 to 1.48000 @ 20.00 °C.
boiling point : 83.00 to 84.00 °C. @ 1.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 151.00  °F.  TCC  ( 66.11 °C. )
logP (o/w) : 2.69

safety :
Oral Toxicity(LD50) :
  Oral-Rat    4300.00  mg/kg
(BIBRA, 1976)

Oral-Rat    4100.00  mg/kg
(Moreno, 1978h)

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :ND (μg/capita/day)
 
recommendation for alpha-campholenic aldehyde usage levels up to :
  5.0000 % in the fragrance concentrate.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanone
(EINECS) number :224-815-8
chemidplus :004501580
EPA Substance Registry Services :4501-58-0

references :
 1-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanone
fl. number :05.119
jecfa number :967
pubchem :163405

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aromavert
alpha-campholenal
alpha-campholenaldehyde
 campholenic aldehyde
(2,3,3-trimethyl cyclopent-3-en-1-y-2) acetaldehyde
2,2,3-trimethyl cyclopent-3-en-1-yl acetaldehyde
(R)-2,2,3-trimethyl cyclopent-3-ene-1-acetaldehyde
 trimethyl cyclopentenyl acetaldehyde
2,3,3-trimethyl-1-acetaldehyde-3-cyclopentene
1-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethanone
dextro-trimethyl-3-cyclopentene-1-acetaldehyde

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
alpha-amyl cinnamyl formate
isoamyl salicylate
 anise indene
 basil absolute sweet
3-benzyl-4-heptanone
isoborneol
isobornyl acetate
 bornyl butyrate
beta-bourbonene
isobutyl angelate
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
delta-cadinene
gamma-cadinene
alpha-cadinol
 cajuput oil vietnam
 camphene
(+)-camphene
dextro-camphor
 chamomile oil
 cinnamon acrolein
 cinnamyl formate
 cistus oil
 coriander oleoresin
(-)-cubenol
 cuminaldehyde
 currant bud absolute black
isocyclocitral
isocyclogeraniol
 dihydrorose oxide
 dill weed oil
 dill weed oil reunion
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 ethyl 4-pentenoate
 fig leaf absolute
 geranium oil africa
 geranium oil egypt
 heptanal
 heptanol
 herbal cyclohexane
 herbal dioxane
 herbal heptane
 herbal undecanone
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
 hop absolute
 hop oil
 immortelle flower oil
 ivy leaf absolute
(Z)-jasmone
 karo karounde absolute
 lavender flower oil lithuania
 lavender oil france
 lavender oil greece
 linalyl formate
 linalyl octanoate
 marine formate
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
(E)-6-methyl-3-hepten-2-one
 mistletoe absolute
gamma-muurolene
 neryl formate
 nonisyl formate
 nonisyl propionate
(E)-2-octen-1-al
3-octen-1-yl acetate
 origanum oil
 origanum oil turkey
 origanum vulgare l. ssp. vulgare oil himalaya
 parsley leaf oil
 patchouli indene
 pennyroyal oil
2-pentyl cyclopentanone
 perillaldehyde
 petitgrain bigarade oil
isophytol
 polylimonene
 prenyl salicylate
2-propyl thiazole
4-isopropyl-2-cyclohexenone
isopulegol
 reseda absolute
 rose pyran
 seaweed absolute
 spruce oil
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tansy leaf oil dutch
 tansy oil argentina
 tea leaf absolute
 theaspirane
alpha-thujene
 thyme absolute
 thyme oil wild or creeping
 timber dioxolane
 treemoss absolute
 tricyclodecenyl propionate
 tricyclodecyl acetate
 tropical indene
 viridiflorol
 woody ketone
 wormwood oil

(odor and/or flavor) used in :
 amber
 green
 herbal
 leaf
 woody

natural occurrence in :
data pagecistus oil @ 0.3%
data pagecroton flavens l. (welensali) leaf oil curacao @ trace%
data pageeucalyptus dalrympleana maiden leaf oil ethiopia @ 4.00%
data pageeucalyptus delegatensis r. baker leaf oil ethiopia @ 0.40%
data pageeucalyptus globulus oil @ 0.11%
data pageeucalyptus globulus pseudoglobulus oil @ 0.17%
data pagehypericum dogonbadanicum assadi oil iran @ trace%
data pagejuniper berry oil @ 0.20%
data pagelabdanum leaf oil @ 0.80%
data pagelabdanum oil @ 0.78%
data pagelaurel leaf oil turkey @ <0.10%
data pagelemon verbena oil turkey @ 0.05%
data pagemarjoram oil sweet morocco @ 1.54%
data pagemyrtle oil @ 0.08%
data pagewormwood oil annus france @ 0.00-0.66%



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