omega-pentadecalactone
Notes :
A true macrocylcic musk, biodegradeable.
 
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IUPAC name :1-oxacyclohexadecan-2-one
InChI :InChI=1/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
InChIKey :FKUPPRZPSYCDRS-UHFFFAOYAJ
SMILES :C1CCCCCCCOC(=O)CCCCCC1
(EINECS) number :203-354-6
cas number :106-02-5
fema number :2840
coe number :181
jecfa number :239
fl. number :10.004
molar refractivity :66.30 ± 0.3 cm3
parachor :586.7 ± 6.0 cm3
index of refraction :1.435 ± 0.02
surface tension :28.6 ± 3.0 dyne/cm
density :0.892 ± 0.06 g/cm3
polarizability :26.28 ± 0.5 10-24cm3
xlogp : 6.20
molecular weight : 240.3816200
formula :C15 H28 O2
BioActivity Analysis :93313
 
 
fda reg :unspecified h. number :2932.29.6000
organoleptics : 
odor type :musk
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
musk animal powdery natural fruity
taste description³ :at 75.00 ppm.  
Vanilla bean, powdery heliotropine, creamy and licorice
substantivity :400  Hour(s)
properties : 
appearence :colorless solid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 34.00 - 38.00 °C. @ 760.00 mm Hg
boiling point : 137.00 °C. @ 2.00 mm Hg
logp : 6.10
shelf life : 36.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : N - Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    >5000.00  gm/kg    (Levenstein, 1974c)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  13,787,1975
Maximised Survey-derived Daily Intakes (MSDI) :73.00 (μg/capita/day)
  
flash point ( Deg. F. ) :> 220.00  °F.  TCC  ( > 104.44 °C. )
  
recommendation for omega-pentadecalactone usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for omega-pentadecalactone usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-354-6
rtecs :RN9775000 for 106-02-5
chemidplus :106-02-5
epa-srs :106-02-5
dtp/nci :36763
  
other : 
  C of A
references : 
pubchem :10503230
NIST Chemistry WebBook :1236177204
  
reference : Mosciano, Gerard P&F 22, No. 5, 67, (1997)³
synonyms :
 angelica lactone
oxacyclohexadecan-2-one
 exaltex
 exaltolide
 hexaltolide
15-hydroxypentadecanoic acid omega-lactone
 macrolide
 muscolactone
 muskalactone
omega-pentadecalactone
2-pentadecalone
 pentadecan-15-olide
 pentadecanolid
1,15-pentadecanolide
15-pentadecanolide
 pentalide
14-oxytetradecane carbonic acid lactone
 thibetolide
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
stability :
 alcoholic solution
 antiperspirant
 cream
 deodorant spray
 detergent powder
 hair spray
 lotion
 non-discoloring in most media
 soap
 talcum powder
(odor and/or flavor) blends with :
 allyl amyl glycolate
 amber carbinol
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 armoise oil
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl cinnamate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
para-cresyl caprylate
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
gamma-decalactone
 decanol
9-decen-1-al
9-decen-1-ol
 decyl acetate
 dihydrojasmone
 dimethyl benzyl carbinol
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
 lavender absolute
 leaf acetal
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 longifolene
 melon nonenoate
 methyl acetophenone
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
 muguet carboxaldehyde
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nonanol
 oakmoss absolute
 ocean propanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 undecanol
10-undecen-1-al
10-undecen-1-yl acetate
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 abronia
 acacia
 amber
 ambergris
 ambrette
 angelica
 animal
 apple crabapple
 azalea
 balsam
 bark
 bayberry
 beeswax cire d'abeille
 blackberry
 blueberry
 boronia
 bouquet
 boysenberry
 broom genet genista
 burberry
 cabochard
 cabreuva
 cassia blossom
 cassie acacia farnesiana
 cedar forest
 cedarleaf
 champaca champak
 chanel #5
 cherry blossom
 chocolate cacao
 chypre
 cistus
 citrus
 civet
 clean
 clover trefle le'trefle incarnat
 colonia
 cyclamen
 daffodil narcissus
 daphne
 dogwood
 dusty
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 fixer
 floral
 flouve
 flouve blossom
 foliage
 forest pine forest
 frangipanni plumeria
 freesia
 ginger white ginger
 gooseberry
 grass sweet grass
 guaiacwood
 guava
 gurjun
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 hibiscus
 hinoki
 hollyberry
 huckleberry bilberry
 hugonia
 immortelle helichrysum everlasting
 incense
 joy
 kewda
 kiwi
 kiwi blossom
 kumquat
 labdanum
 lavender
 leaf autumn leaf
 leather
 lemon
 licorice red licorice
 lily
 lime
 loganberry dewberry
 lotus
 lychee soapberry
 mango
 meadow
 millefleurs
 mimosa wattle
 moss
 muguet lily of the valley
 mulberry
 musk
 oakwood
 ocean sea
 orange
 orange blossom fleur d'oranger
 orchid
 oriental
 pansy
 papaya
 passion blossom
 passion fruit
 patchouli
 petunia
 phlox
 pine
 plum
 pomegranate
 poppy
 powder
 privet blossom
 rain
 rain spring rain
 raspberry
 reseda mignonette
 rhubarb
 rose
 rose d'orient
 rose red rose
 rose tea rose
 rose white rose
 rose wild rose
 sandalwood
 soapy
 spearmint
 spice
 stephanotis
 tabu
 tea
 timber
 tobacco tabac tabaco
 toffee
 tonka
 tulip
 vanilla
 verbena verveine
 wintergreen
 wistaria wisteria glycine
 woodruff asperula
 woody
 wool
natural occurrence in :
angelica root oil
data pageangelica root oil @ 0.85%
data pageangelica seed oil CO2 extract @ 7.70%



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