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

tangerine nitrile
mandaril (Symrise)

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Fragrance Demo Formulas
Name:trideca-3,12-dienenitrile
CAS Number: 134769-33-8Picture of molecule3D/inchi
Nikkaji Web:J1.565.153I
XlogP3-AA:4.70 (est)
Molecular Weight:191.31737000
Formula:C13 H21 N
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:2,12-tridecadiene nitrile
 10-undecenal / cyanoacetatic acid
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Optical Rotation:-5.00 to +5.00
Boiling Point: 111.00 to 117.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.673 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 1.702 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:204 hour(s) at 100.00 %
sweet tangerine aldehydic fresh watery
Odor Description:at 10.00 % in dipropylene glycol. sweet tangerine aldehydic fresh watery
Luebke, William tgsc, (1994)
Odor sample from: Harrmann & Reimer Corporation
Odor and/or flavor descriptions from others (if found).
Symrise
Mandaril
Odor Description:sweet tangerine note, aldehydic, fresh watery, also reminiscent of orange peel with cyclamen and sea breeze shades
Stable in: body lotion (very good), shampoo (excellent), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).
 
Cosmetic Information:
None found
 
Suppliers:
Associate Allied Chemicals
Mandril
About
BOC Sciences
For experimental / research use only.
Mandaril
Ernesto Ventós
MANDARIL SYMRISE
Odor: SWEET TANGERINE,ALDEHYDIC,CYCLAMEN
Moellhausen
MANDARIL
Penta International
3,12-TRIDECADIEN NITRILE
Symrise
Mandaril
Odor: sweet tangerine note, aldehydic, fresh watery, also reminiscent of orange peel with cyclamen and sea breeze shades
Use: Stable in: body lotion (very good), shampoo (excellent), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).
Vigon International
Mandaril
Odor: SWEET TANGERINE NOTE, ALDEHYDIC, FRESH, COOL, WATERY, ALSO REMINISCENT OF ORANGE PEEL WITH SEABREEZE SHADES
 
Safety Information:
European information :
Most important hazard(s):
N - Dangerous for the environment.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 60 - This material and its container must be disposed of as hazardous waste.
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-rat LD50 > 2000 mg/kg
Method:OECD 401

Dermal Toxicity:
skin-woman LD50 > 2000 mg/kg
Method:OECD 402

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for tangerine nitrile usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for tangerine nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):134769-33-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6450538
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:3
trideca-3,12-dienenitrile
Chemidplus:0134769338
 
References:
 trideca-3,12-dienenitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6450538
Pubchem (sid):135236612
 
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:2926.90.50
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
adoxal (Givaudan)
FL/FR
citrus carbaldehyde
FR
(Z)-4-
dodecenal
FL/FR
mandarine undecenal
FL/FR
octanal (aldehyde C-8)
FL/FR
TMH aldehyde
FR
2-
tridecenal
FL/FR
N-/i-
undecanal
FR
undecanal
FL/FR
8-
undecenal
FR
(Z)-8-
undecenal
FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
citrus
aldehydic nitrile
FR
citronellyl nitrile
FR
citrus unshiu peel oil
FL/FR
4,7-
decadienal
FR
(Z)-7-
decenal
FR
(Z)-4-
decenal
FL/FR
dimyrcetol (IFF)
FR
mandarin oil italy
FL/FR
marine decadienal
FR
marine nitrile
FR
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
orange nitrile
FR
blood
orange oil (citrus sinensis var. sanguinello) italy
FL/FR
blood
orange oil italy
FL/FR
alpha-
sinensal
FL/FR
tangerine acetate
FR
tangerine oil america
FL/FR
tangerine oil terpeneless
FL/FR
2-
tetradecenal
FL/FR
(E)-2-
tetradecenal
FL/FR
waxy nitrile
FR
fatty
decanol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
(E)-2-
nonenal
FL/FR
floral
cyclamen propanal
FR
ethyl ethyl anthranilate
FL/FR
jasimia
FR
jasmin acetate
FL/FR
lilyall
FR
methoxymelonal
FL/FR
muguet butanal
FR
muguet carboxaldehyde
FR
ocean propanal
FL/FR
bitter
orangeflower water absolute
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
fruity
ethyl methyl anthranilate
FL/FR
green
green carbaldehyde
FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
(Z)-5-
octen-1-ol
FL/FR
iso
propyl phenyl propionaldehyde
FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
(E)-2-
dodecenal
FL/FR
floral nitrile
FR
marine
green
algae absolute
FL/FR
marine hexane
FR
ocean carboxaldehyde
FR
melon
watermelon ketone
FR
waxy
decanal diethyl acetal
FL/FR
(E)-2-
tridecenal
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
green
algae absolute
FL/FR
citrus unshiu peel oil
FL/FR
(Z)-4-
dodecenal
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl methyl anthranilate
FL/FR
mandarine undecenal
FL/FR
alpha-
sinensal
FL/FR
2-
tetradecenal
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
citrus
(Z)-4-
decenal
FL/FR
mandarin oil italy
FL/FR
2-
methyl decanal (aldehyde C-11 MOA)
FL/FR
blood
orange oil (citrus sinensis var. sanguinello) italy
FL/FR
blood
orange oil italy
FL/FR
tangerine oil america
FL/FR
tangerine oil terpeneless
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
jasmin acetate
FL/FR
ocean propanal
FL/FR
bitter
orangeflower water absolute
FL/FR
fruity
methoxymelonal
FL/FR
petitgrain mandarin oil terpeneless
FL/FR
green
(E,Z)-2,6-
dodecadienal
FL/FR
(E)-2-
nonenal
FL/FR
(Z)-5-
octen-1-ol
FL/FR
waxy
adoxal (Givaudan)
FL/FR
decanal diethyl acetal
FL/FR
decanol
FL/FR
(E)-2-
dodecenal
FL/FR
(E)-2-
tetradecenal
FL/FR
(E)-2-
tridecenal
FL/FR
undecanal
FL/FR
 
Potential Uses:
FRaldehydic
FRcitrus
FRocean sea
FRsea breeze
FRtangerine
 watery
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 mandaril (Symrise)
 mandaril 1% in TEC (Symrise)
 trideca-3,12-dienenitrile
3,12-tridecadien nitrile
3,12-tridecadiene nitrile
3,12-tridecadienenitrile
 

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