2-nonyn-1-al dimethyl acetal
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Notes :
Methyl heptin/octin carbonate replacer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1,1-dimethoxynon-2-yne
InChI :InChI=1/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3
InChIKey :RPJGIPAAHSGBEZ-UHFFFAOYAK
SMILES :CCCCCCC#CC(OC)OC
cas number :13257-44-8
(EINECS) number :236-249-9
beilstein number :4372599
molar refractivity :54.46 ± 0.3 cm3
parachor :484.6 ± 4.0 cm3
index of refraction :1.440 ± 0.02
surface tension :30.3 ± 3.0 dyne/cm
density :0.892 ± 0.06 g/cm3
polarizability :21.59 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 184.2753000
formula :C11 H20 O2
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Bedoukian Research :PARMAVERT
≥98.0%, Kosher
Odor:  powerful green, floral, violet leaf

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fresh green violet folage sweet
odor sample from :Bedoukian Research, Inc.
substantivity :48  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88100 to 0.88900 @ 25.00 °C.
pounds per gallon - calc. : 7.331 to 7.397
refractive index :1.43500 to 1.44300 @ 20.00 °C.
boiling point : 104.00 °C. @ 7.00 mm Hg
vapor pressure :0.03000 mm/Hg @ 20.00 °C.
vapor density :1.2 ( Air = 1 )
flash point : 205.00  °F.  TCC  ( 96.11 °C. )
logP (o/w) : 3.72

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 779, 1982.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 779, 1982.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-nonyn-1-al dimethyl acetal usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for 2-nonyn-1-al dimethyl acetal usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 1,1-dimethoxynon-2-yne
(EINECS) number :236-249-9
chemidplus :013257448
EPA Substance Registry Services :13257-44-8

references :
 1,1-dimethoxynon-2-yne
pubchem :168581

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
1,1-dimethoxy-2-nonyne
1,1-dimethoxynon-2-yne
2-nonyl-1-al dimethyl acetal
2-nonynal dimethyl acetal
 parmavert

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

(odor and/or flavor) blends with :
isoamyl 3-(2-furan) propionate
 anisyl propanal / methyl anthranilate schiff's base
 benzyl methyl ether
 bergamot oil
 bergamot oil turkey
 boronia absolute
 boronia butenal
isobutyl benzyl carbinol
 cassie absolute
 cassie concrete
 chrysanthemum oxide
 citral dimethyl acetal
 clary sage absolute
 costus root absolute
 costus root oil
 costus root resinoid
 cuminyl acetaldehyde
 decanal propylene glycol acetal
(E)-4-decen-1-al
 dibutyl sulfide
 diethyl dimethyl-2-cyclohexenone
 dihydro-alpha-ionone
 dimethyl alpha-ionone
 dimethyl ionone
 dimethyl succinate
 earthy acetal
 estragole
 ethyl 2-benzyl butyrate
 ethyl myristate
2-ethyl octine carbonate
 farnesyl acetate
 fig leaf absolute
 flower hexene
 gardenia absolute
 heptanol
(E,E)-2,4-hexadien-1-ol
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(Z)-3-hexen-1-yl methyl carbonate
 hyacinth absolute
 hydroxycitronellal diethyl acetal
alpha-ionol
beta-ionol
alpha-ionone
 ionones
alpha-ionyl acetate
beta-ionyl acetate
 ivy carbaldehyde / methyl anthranilate schiff's base
 leaf acetal
 marine hexane
 melon nonenoate
 methyl 2-undecynoate
 methyl cyclocitrone
 methyl heptine carbonate
(E)-beta-methyl ionone
iso-alpha-methyl ionone
N-methyl ionone
pseudomethyl ionone
pseudo-isomethyl ionone
(E)-alpha-methyl ionone (44-50%)
(E)-alpha-methyl ionone (50-60%)
alpha-isomethyl ionone (60% min.)
alpha-isomethyl ionone (70% min.)
(E)-alpha-methyl ionone (74-80%)
alpha-isomethyl ionone (80% min.)
alpha-isomethyl ionone (90% min.)
 methyl ionone gamma supreme
 methyl ionones
 methyl ionyl acetate
 methyl octenoate
 methyl octine carbonate
4-methyl-4-phenyl pentanone
 muguet carbinol
(E,E)-2,4-nonadien-1-al
(E,Z)-2,6-nonadien-1-al
2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
3,6-nonadien-1-ol
(E)-2-nonen-1-ol
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
 octyl oxyacetaldehyde
 origanum oil
 origanum oil turkey
 orris absolute
 orris butenone
 orris pyridine
 orris root concrete
 peach pivalate
(E)-2-penten-1-al
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
isophorone
 savory oil summer
 savory oil winter
 styralyl formate
 terpinyl isobutyrate
 tetrahydrofurfuryl propionate
 tetrahydroionol
 tobacco butenal
 tobacco flower absolute
 turmeric oil
 violet decenol
 violet dienyne
 violet flower absolute
 violet leaf absolute
 violet leaf concrete
 violet methyl carbonate
 violet nitrile
 violet propanol
 woody amylene

(odor and/or flavor) used in :
 fresh
 green
 herbal
 leaf
 violet

natural occurrence in :
not found in nature



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