hexahydrocoumarin
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IUPAC name :3,4,5,6,7,8-hexahydrochromen-2-one
InChI :InChI=1/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2
InChIKey :ODFRBYOJLDRSKF-UHFFFAOYAG
SMILES :C1CCC2=C(C1)CCC(=O)O2
cas number :700-82-3
(EINECS) number :211-851-4
molar refractivity :40.94 ± 0.4 cm3
parachor :337.0 ± 6.0 cm3
index of refraction :1.512 ± 0.03
surface tension :37.2 ± 5.0 dyne/cm
density :1.11 ± 0.1 g/cm3
polarizability :16.23 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 152.1903800
formula :C9 H12 O2
 
 
export tariff code :2932.29.6000
fda reg :unspecified

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
coconut tonka

properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 294.00 to 295.00 °C. @ 760.00 mm Hg
flash point : 247.00  °F.  TCC  ( 119.44 °C. )
logP (o/w) : 2.38

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

safety in use :
 
IFRA critical Effect :Sensitization
recommendation for hexahydrocoumarin usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Hexahydrocoumarin )
Canada Domestic Sub. List :Yes
SCCNFP :opinion
 
 
 
 3,4,5,6,7,8-hexahydrochromen-2-one
(EINECS) number :211-851-4
chemidplus :000700823
EPA Substance Registry Services :700-82-3

references :
 3,4,5,6,7,8-hexahydrochromen-2-one
pubchem :211873

Cosmetics :
Cosmetic uses : not used anymore

other :
CosIng :cosmetic data
synonyms :
3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2-one
3,4,5,6,7,8-hexahydrochromen-2-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 amyl heptanoate
isoamyl octanoate
6-amyl-alpha-pyrone
para-anisyl acetate
 coconut decanone
 coconut naphthalenone
 costus valerolactone
 coumane
 coumarin
 creamy lactone
alpha-decalactone
delta-decalactone
gamma-decalactone
 deertongue absolute
 deertongue oleoresin
 dehydromenthofurolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrocoumarin
 dihydrojasmone lactone
 dimethyl benzofuranone
delta-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl undecanoate
 flouve absolute
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 hay absolute
 heliotropin
delta-heptalactone
gamma-heptalactone
2-heptanone
gamma-hexalactone
 hexen-1-yl cyclopentanone
4-hydroxybenzyl alcohol
 immortelle absolute
 jasmin lactone
 lauric acid
 lovage oleoresin
 massoia bark oil
 massoia lactone
7-methoxycoumarin
 methyl (Z)-5-octenoate
6-methyl coumarin
7-methyl coumarin
 methyl coumarins
 methyl heptadienone
 methyl laurate
6-methyl quinoline
 mint lactone
 myristyl alcohol
 myrtenal
delta-nonalactone
gamma-nonalactone
 octahydrocoumarin
delta-octalactone
gamma-octalactone
4-octen-3-one
2-pentyl cyclopentanone
 phthalide
 pine needle absolute
 propyl octanoate
isopropyl octanoate
 syringaldehyde
 tetrahydrojasmone
 tonka bean absolute
 tonka bean oleoresin
 tonka bean resinoid
 tonka furanone
 tonka ketone
 tonka undecanone
 tonkavert
2-tridecanone
delta-undecalactone
 undecanoic acid
 vanillyl alcohol
 whiskey lactone
 wine lactone

natural occurrence in :
not found in nature



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