EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1,8-octane dinitrile
aldinyle 3884 (Synarome)

Supplier Sponsors

Name:octanedinitrile
CAS Number: 629-40-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-089-2
FDA UNII:JNT1LXA02U
Nikkaji Web:J94.869A
Beilstein Number:1744365
MDL:MFCD00001981
XlogP3:0.60 (est)
Molecular Weight:136.19764000
Formula:C8 H12 N2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.80800 to 0.81800 @ 20.00 °C.
Pounds per Gallon - (est).: 6.731 to 6.815
Refractive Index:1.41800 to 1.42200 @ 20.00 °C.
Melting Point: -4.00 to -3.00 °C. @ 760.00 mm Hg
Boiling Point: 319.00 to 321.00 °C. @ 760.00 mm Hg
Boiling Point: 185.00 °C. @ 15.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.000319 mm/Hg @ 25.00 °C. (est)
Flash Point: 347.00 °F. TCC ( 175.00 °C. )
logP (o/w): 0.590
Soluble in:
 alcohol
 water, 1.478e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: waxy
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fresh sweet waxy floral citrus mandarin
Odor Description:at 10.00 % in dipropylene glycol. fresh sweet waxy floral citrus mandarin
Luebke, William tgsc, (1995)
Odor sample from: Synarome Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
Suberonitrile
Santa Cruz Biotechnology
For experimental / research use only.
1,8-Dicyanohexane
Shiva Chemicals and Pharmaceuticals
Suberonitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,8-Dicyanohexane 98%
Taytonn
ALDINYLE 3884
Odor: Aldehydic/ Aldehyde, Citrus, Floral
TCI AMERICA
For experimental / research use only.
Suberonitrile >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T N - Toxic, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-cat LD50 25 mg/kg
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

intraperitoneal-mouse LD50 100 mg/kg
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

oral-mouse LD50 307 mg/kg
Archives of Toxicology. Vol. 57, Pg. 88, 1985.

oral-rabbit LD50 25 mg/kg
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

oral-rat LD50 150 mg/kg
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 1,8-octane dinitrile usage levels up to:
 not for fragrance use.
 
Recommendation for 1,8-octane dinitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):629-40-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12385
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3276
WGK Germany:1
octanedinitrile
Chemidplus:0000629403
RTECS:WM2131000 for cas# 629-40-3
 
References:
 octanedinitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12385
Pubchem (sid):134976408
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.5050
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
aldehydic
adoxal (Givaudan)
FL/FR
citronellyl oxyacetaldehyde
FL/FR
decanal (aldehyde C-10)
FL/FR
9-
decenal
FL/FR
mandarine undecenal
FL/FR
2-
tridecenal
FL/FR
(Z)-8-
undecenal
FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
beta-
bisabolol
FL/FR
citronellyl nitrile
FR
citrus unshiu peel oil
FL/FR
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
grapefruit oil terpenes
FL/FR
lemon oil terpenes
FL/FR
lemongrass oil terpenes
FL/FR
lime oil terpenes
FL/FR
mandarin oil (citrus reticulata nova var. mandarin) uruguay
FL/FR
mandarin oil italy
FL/FR
blood
orange oil italy
FL/FR
alpha-
sinensal
FL/FR
tangerine acetate
FR
tangerine nitrile
FR
tangerine oil america
FL/FR
tangerine oil terpeneless
FL/FR
tangerine oil terpenes
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
10-
undecen-1-ol
FL/FR
waxy nitrile
FR
fatty
(E,Z)-2,6-
dodecadienal
FL/FR
floral
cyclohexyl ethyl alcohol
FL/FR
ethyl ethyl anthranilate
FL/FR
hexyl 2-furoate
FL/FR
lily flower absolute
FR
methyl citronellate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
bitter
orangeflower water absolute
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
phenethyl hexanoate
FL/FR
tetrahydrolinalyl acetate
FR
undecanal dimethyl acetal
FR
fruity
ethyl methyl anthranilate
FL/FR
methyl heptanoate
FL/FR
green
heptyl formate
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
(E)-2-
dodecenal
FL/FR
petitgrain
petitgrain mandarin oil terpenes
FR
terpenic
alpha-
terpineol
FL/FR
waxy
ethyl laurate
FL/FR
hexadecanol
FL/FR
(E)-2-
tridecenal
FL/FR
1-
undecanol
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
citrus unshiu peel oil
FL/FR
9-
decenal
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl methyl anthranilate
FL/FR
mandarine undecenal
FL/FR
alpha-
sinensal
FL/FR
10-
undecen-1-ol
FL/FR
aldehydic
aldehydic
2-
tridecenal
FL/FR
1-
undecanol
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
beta-
bisabolol
FL/FR
citronellyl oxyacetaldehyde
FL/FR
grapefruit oil terpenes
FL/FR
lemon oil terpenes
FL/FR
lemongrass oil terpenes
FL/FR
lime oil terpenes
FL/FR
mandarin oil (citrus reticulata nova var. mandarin) uruguay
FL/FR
mandarin oil italy
FL/FR
blood
orange oil italy
FL/FR
tangerine oil america
FL/FR
tangerine oil terpeneless
FL/FR
tangerine oil terpenes
FL/FR
alpha-
terpineol
FL/FR
(±)-2,4,8-
trimethyl-7-nonen-2-ol
FL/FR
fatty
2-
dodecanone
FL/FR
2-
ethyl-1-hexanol
FL/FR
heptyl formate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
pseudo
ionone
FL
methyl citronellate
FL/FR
bitter
orangeflower water absolute
FL/FR
fruity
methyl heptanoate
FL/FR
3-
nonanon-1-yl acetate
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
green
cyclohexyl ethyl alcohol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
(E,E)-2,4-
hexadienal
FL
hexyl 2-furoate
FL/FR
waxy
adoxal (Givaudan)
FL/FR
decanal (aldehyde C-10)
FL/FR
(E)-2-
dodecenal
FL/FR
ethyl laurate
FL/FR
hexadecanol
FL/FR
phenethyl hexanoate
FL/FR
(E)-2-
tridecenal
FL/FR
 
Potential Uses:
 mandarin
FRmimosa
FL/FRpetitgrain mandarin oil replacer
 petitgrain tangerine petitgrain
 tangerine
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldinyle 3884 (Synarome)
1,6-dicyanohexane
 hexa-1,6-diyl dicyanide
 hexamethylene di-isocyanide
 hexamethylene dicyanide
 hexamethylene dinitrile
 hexane-1,6-dicarbonitrile
 hexane-1,6-dicarboxylic acid dinitrile
 octanedinitrile
1,8-octanedinitrile
 suberic acid dinitrile
 suberodinitrile
 suberonitrile
 
 
Notes:
None found
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