docosane
 
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IUPAC name :docosane
InChI :InChI=1/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey :HOWGUJZVBDQJKV-UHFFFAOYAZ
SMILES :CCCCCCCCCCCCCCCCCCCCCC
(EINECS) number :211-121-5
cas number :629-97-0
molar refractivity :103.97 ± 0.3 cm3
parachor :907.4 ± 4.0 cm3
index of refraction :1.443 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.792 ± 0.06 g/cm3
polarizability :41.21 ± 0.5 10-24cm3
xlogp : 10.50
molecular weight : 310.6006400
formula :C22 H46
BioActivity Analysis :118153
 
 
export tariff code :2901.10.5000
fda reg :unspecified
 
organoleptics :
odor strength :low
odor description :
at 100.00 %.  		waxy
properties :
appearence :white solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.77800 @ 25.00 °C.
melting point : 43.00 to 45.00 °C. @ 760.00 mm Hg
boiling point : 368.00 to 370.00 °C. @ 760.00 mm Hg
logp : 11.15
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
recommendation for docosane usage levels up to :
  8.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 docosane
(EINECS) number :211-121-5
chemidplus :000629970
EPA Substance Registry Services :629-97-0
NLM Chemical Carcinogenesis Research Information System :629-97-0
NLM Developmental and Reproductive Toxicity :629-97-0
NLM Env. Mutagen Info. Center :629-97-0
NLM GENetic TOXicology :629-97-0
dtp/nci :77139
references :
 docosane
pubchem :155727
NIST Chemistry WebBook :1576060971
other :
synonyms :
 docosane
 doeicosane
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl nonyryl
 allyl 10-undecenoate
 allyl butyrate
 allyl cyclohexyl acetate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl benzoate
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
alpha-amyl cinnamyl alcohol
isoamyl isobutyrate
isoamyl laurate
isoamyl undecylenate
6-amyl-alpha-pyrone
 beeswax absolute
 benzyl laurate
 butyl lactate
 butyl laurate
 butyl levulinate
 cassie concrete
 cedrenyl acetate
 citronellol
 citronellyl ethoxalate
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 citronellyl phenyl acetate
 coconut
 creamy lactone
(-)-alpha-cubebene
 cyclohexyl ethyl alcohol
 cyclohexyl propionate
 dairy lactone
2,4-decadien-1-ol
 decanal
 decanal / methyl anthranilate schiff's base
 decanal diethyl acetal
3-decanone
(E)-2-decen-1-al
9-decen-1-al
(E)-2-decen-1-ol
(Z)-4-decen-1-ol
(Z)-5-decen-1-ol
2-decen-1-ol
9-decen-1-ol
(E)-2-decen-1-yl acetate
1-decen-3-ol
(E)-2-decenoic acid
9-decenoic acid
 decyl acetate
 decyl butyrate
 dehydro beta-linalool
 dewy propionate
 dihydrojasmone lactone
2,6-dimethyl octanal
 dimethyl octanol
 dimethyl octanyl acetate
(E,E)-2,4-dodecadien-1-ol
 dodecanal
 dodecanol
 eicosane
beta-elemene
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-octenoate
 ethyl decanoate
 ethyl hexanoate
 ethyl laurate
 ethyl myristate
 ethyl nonanoate
 ethyl octanoate
 ethyl palmitate
 ethyl stearate
 ethyl undecanoate
 ethyl undecylenate
 ethylene dodecanoate
gamma-eudesmol
(E,E)-farnesol
(E,E)-farnesyl acetate
 furfuryl hexanoate
 furfuryl octanoate
1-furfuryl pyrrole
 geraniol
 geranyl acetate
(E)-geranyl acetone
 geranyl butyrate
 geranyl hexanoate
 geranyl oxyacetaldehyde
 grape butyrate
 green carbaldehyde
 henicosane
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
 heptyl octanoate
2-heptyl tetrahydrofuran
 hexadecanol
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl methyl carbonate
(Z)-3-hexen-1-yl propionate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl octanoate
 hexyl phenyl acetate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
5-hydroxymethyl furfural
pseudoionone
 jasmin absolute
 jasmin absolute chassis
 jasmin absolute pommade
 jasmin cyclopentanol
isojasmone
 lauryl acetate
 lily pentanal
 lime octadienal
 mandarine undecenal
 massoia bark oil
 massoia lactone
 melon nonenoate
 melon valerate
 methyl 10-undecenal
 methyl 2-undecynoate
 methyl 2,4-decadienoate
4-methyl biphenyl
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
 methyl citronellate
2-methyl decanal
(E)-methyl geranate
 methyl heptanoate
2-methyl heptanoic acid
 methyl heptine carbonate
 methyl laurate
 methyl myristate
 methyl nonanoate
 methyl octanoate
4-methyl octanoic acid
 methyl octenoate
 methyl phenyl acetate
2-methyl undecanal dimethyl acetal
 methyl undecanoate
 mimosa absolute
 muguet butanal
 muguet ethanol
 musk decenone
(E)-12-musk decenone
 myristic acid
 nerolidol
 neryl butyrate
(Z,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
gamma-nonalactone
 nonanal
 nonanoic acid
2-nonanol
3-nonanon-1-yl acetate
(Z)-2-nonen-1-al
(E)-2-nonen-1-ol
(Z)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(E)-2-nonen-1-yl acetate
 nonyl acetate
2,4-octadien-1-ol
 octanal
 octanoic acid
 octanol
(E)-2-octen-1-al
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
3-octen-2-ol
(E)-2-octenoic acid
 octyl 2-furoate
 octyl 2-methyl butyrate
 octyl acetate
 octyl butyrate
 octyl isobutyrate
 oleic acid
 orris root resinoid
 osmanthus absolute
 palmitic acid
 pentadecanal
 pentadecane
 pentadecanoic acid
 phenethyl hexanoate
 phenethyl octanoate
 phenyl acetaldehyde ethylene glycol acetal
 phytyl acetate
 rhodinol
 rose absolute
 rose blossom pentanol
 rose butanoate
 rose oil turkey
 sandal cyclopentane
beta-sinensal
 tangerine acetate
delta-tetradecalactone
 tetradecanal
 tetradecane
(E)-2-tetradecen-1-al
2-tetradecen-1-al
 tmh aldehyde
 tricosane
 tridecanal
 tridecanoic acid
2-tridecanone
(E)-2-tridecen-1-al
2-tridecen-1-al
(E)-2-tridecen-1-ol
(E)-2-tridecen-1-yl acetate
2,5,9-trimethyl-4,9-decadien-1-al
 tropical ionone
delta-undecalactone
 undecanal
N-/i-undecanal
 undecanoic acid
 undecanol
2-undecanol
2-undecanone
(Z)-8-undecen-1-al
10-undecen-1-al
8-undecen-1-al
(E)-2-undecen-1-ol
10-undecen-1-ol
2-undecen-1-ol
(E)-2-undecen-1-yl acetate
 undecyl acetate
 vetiver pentanone
 waxy acetate
 waxy aldehyde
 waxy lactone
 waxy nitrile
 waxy undecadienol
(odor and/or flavor) used in :
 waxy
natural occurrence in :
data pagecabocla flower oil brazil @ 2.40%
data pagecassie absolute @ 0.09%
coffee
data pagecouroupita guianensis aubl. flower oil brazil @ 0.10%
data pageherniaria incana lam. oil greece @ 0.20%
data pagejambu flower oil brazil @ 0.10%
data pagekewda oil @ trace-0.16%
data pagenarcissus absolute @ 0.04%
data pageosmanthus absolute @ 0.03%
data pagewitch hazel leaf oil @ 1.27%



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