(Z)-ambrettolide
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IUPAC name :(7Z)-17-oxacycloheptadec-7-en-1-one
InChI :InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-
InChIKey :NVIPUOMWGQAOIT-RQOWECAXBG
SMILES :C1CCCCOC(=O)CCCCC\C=C/CCC1
cas number :123-69-3
(EINECS) number :204-644-5
fl. number :10.059
molar refractivity :75.12 ± 0.3 cm3
parachor :654.5 ± 6.0 cm3
index of refraction :1.444 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :29.78 ± 0.5 10-24cm3
XlogP : 6.10
XlogP3-AA : 5.50
molecular weight : 252.3923200 (IUPAC)
formula :C16 H28 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :oxacycloheptadec-8-en-2-one,(Z)-
Pfaltz & Bauer :Ambrettolide
98%

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
musty animal

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 398.00 to 399.00 °C. @ 760.00 mm Hg
flash point : 334.00  °F.  TCC  ( 167.78 °C. )
logP (o/w) : 5.52

safety :
Oral Toxicity(LD50) :
  Oral-Mouse    1600.00  mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Oral-Rat    339.00  mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 (7Z)-17-oxacycloheptadec-7-en-1-one
(EINECS) number :204-644-5
chemidplus :000123693
EPA Substance Registry Services :123-69-3

references :
 (7Z)-17-oxacycloheptadec-7-en-1-one
fl. number :10.059
NIST Chemistry WebBook :2526382605
pubchem :173309

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(7Z)-17-oxacycloheptadec-7-en-1-one
(8Z)-oxacycloheptadec-8-en-2-one
(Z)-oxacycloheptadec-8-en-2-one
 hexadec-7-en-16-olide
(Z)-omega-6-hexadecenlactone
(Z)-16-hydroxy-7-hexadecenoic acid lactone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl acetaldehyde dimethyl acetal
2-acetyl pyrrole
3-acetyl-2,5-dimethyl furan
 amber furan
 ambergris naphthol
 ambrinol
alpha-ambrinol
isoamyl cinnamate
 amyl phenyl acetate
isoamyl phenyl acetate
(3alpha,5alpha)-androst-16-en-3-ol
 animal carbolactone
isobornyl formate
isobutyl benzoate
isobutyl quinoline
isobutyl quinoline
2-sec-butyl-3-methoxypyrazine
2-isobutyl-3,(5 and 6)-dimethyl pyrazine
 camphene hydrate
4-carvomenthenol
 cassia oleoresin
 cassis pentanone
 castoreum absolute
 cedarwood oil china
(±)-citronellol
 civet absolute
 civet decenone
 cocoa butenal
 costus valerolactone
para-cresyl acetate
para-cresyl caprylate
para-cresyl isobutyrate
para-cresyl isovalerate
para-cresyl phenyl acetate
 cyclamen aldehyde
 cyclohexyl acetate
 cyclohexyl acetic acid
 cyclohexyl methyl pyrazine
2,5-diethyl thiazole
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
 dimethyl anthranilate
 dimethyl octanol
4,5-dimethyl-2-ethyl-3-thiazoline
2-ethoxythiazole
 ethyl 3-(furfuryl thio) propionate
 ethyl benzoate
2-ethyl butyl acetate
2-ethyl fenchol
3-ethyl phenol
2-ethyl pyrazine
 ethylene dodecanoate
 filbert pyrazine
 furfuryl alcohol
 furfuryl hexanoate
 geosmin
 ginger oleoresin
 guaiyl butyrate
 hazelnut pyrazine
 heptanol
2,4-hexadien-1-ol
 hexanal dimethyl acetal
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
 hexyl pivalate
 hexyl propionate
1-hydroxy-2-butanone
5-hydroxymethyl furfural
 hydroxymethyl hexyl ethyl ketone
 indolall
 indole
 indoletal
 juniper lactone
delta-juniper lactone
 labdanum absolute resin
 labdanum absolute resinoid
 labdanum resin
 linalool oxide (furanoid)
 linalyl hexanoate
 marine pyridine
para-menth-3-en-1-ol
 menthofuran
 methyl 2-(methyl thio) butyrate
 methyl 2-hydroxy-4-methyl valerate
2-methyl butyraldehyde
 methyl carbitol
4-methyl cyclohexanone
 methyl heptenone
4-methyl octanoic acid
para-methyl tetrahydroquinoline
2-methyl thio-3,5 or 6-methyl pyrazine
tris(methyl thio) methane
 methyl thiomethyl butyrate
3-methyl valeric acid
2-methyl-4-phenyl butanal
delta-muscenone
 muscogene
dextro,laevo-muscone
normuscone
 musk dimethyl indane
 musk lactone
 musk nonane
 musk pentane
 myrrh absolute
 nutty quinoxaline
 oakmoss absolute
1-octen-3-one
(E)-2-octenoic acid
 octyl 2-methyl butyrate
 opoponax oil
 opoponax resinoid
 peanut oxazole
omega-pentadecalactone
2-pentyl-1-buten-3-one
 petitgrain heptane
 phenethyl butyrate
 phenethyl furoate
ketoisophorone
 piperidine
 piperine
 propyl alcohol
 propyl cinnamate
 propyl valerate
 skatole
 spikenard oil
1-oxaspiro-4,7-dodecane
 styralyl acetate
 tetrahydrofurfuryl butyrate
 tetrahydrogeranyl acetone
2,3,5,6-tetramethyl pyrazine
2,3,5-trimethyl pyrazine
2,4,5-trimethyl thiazole
2,5,9-trimethyl-4,9-decadien-1-al
 valerian root oil
 valerian root oil CO2 extract china
 vinyl sulfurol
2,3-xylenol

natural occurrence in :
found in nature



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