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2-methyl undecanal (aldehyde C-12 mna)

Chemical Structure

General Material Information

Preferred name 2-methyl undecanal (aldehyde C-12 mna)
Trivial Name 2-Methylundecanal
Short Description 2-methylundecanal
Formula C12 H24 O
CAS Number 110-41-8
Deleted CAS Number 135026-96-9
FEMA Number 2749
Flavis Number 5.077
ECHA Number 203-765-0
FDA UNII S94QNS2VY5
Nikkaji Number J127.230F
Beilstein Number 1758291
MDL MFCD00006990
COE Number 2010
xLogP3-AA 4.90 (est)
NMR Predictor External link
JECFA Food Flavoring 275 2-methylundecanal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 110-41-8 ; 2-METHYLUNDECANAL
Synonyms
  • aldehyde C 12 MNA pure
  • aldehyde C-12 M.N.A.
  • aldehyde C-12 mna
  • aldehyde C-12 MNA FCC
  • aldehyde C12 MNA
  • aldehyde M.N.A.
  • aldehyde MNA
  • 2-methyl hendecanal
  • methyl N-nonyl acetaldehyde
  • methyl N-nonyl acetic aldehyde
  • methyl nonyl acetaldehyde
  • methyl nonyl acetic aldehyde
  • 2-methyl undecanal (aldehyde C-12 mna)
  • 2-methyl undecanal MNA
  • 2-methyl-1-undecanal
  • methyl-N-nonyl acetaldehyde
  • methyl-N-nonylacetaldehyde
  • 2-methylhendecanal
  • methylnonylacetaldehyde
  • methylnonylacetic aldehyde
  • 2-methylundecanal
  • undecanal, 2-methyl-
  • 2-Methylundecanal
  • 2-Methyl-1-undecanal
  • NSC 46127

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Literature & References

Leffingwell:Chirality or Article
2-methylundecanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-41-8
Pubchem (cid):61031
Pubchem (sid):135018442
Publications by Info
2-Methylundecanal

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31734
FooDB:FDB008401
Export Tariff Code:2912.30.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 184.32247924805
Specific gravity @ 25 °C
Pounds per Gallon 6.84 to 6.906
Specific gravity @ 20 °C
Pounds per Gallon 6.856 to 6.923
Refractive Index 1.43 to 1.436 @ 20 °C
Acid Value 2 max KOH/g
Vapor Pressure 1.428 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.834 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Solubility
alcohol Yes
dipropylene glycol Yes
fixed oils Yes
paraffin oil Yes
water, 5.372 mg/L @ 25 °C (est) Yes
water No
glycerin No
Stability
alkalis Unspecified
amines Unspecified
ammonia Unspecified
antiperspirant Unspecified
cream Unspecified
deodorant spray Unspecified
detergent powder Unspecified
hair spray Unspecified
household product Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified
talcum powder Unspecified

Organoleptic Properties

Odor Type: Aldehydic
fresh, amber, aldehydic, mossy, citrus, tuberose, metallic, waxy, coumarinic, gassy
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 388 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 1.00 % in dipropylene glycol. fresh amber aldehydic moss citrus tuberose metallic waxy coumarinic
Mosciano, Gerard P&F 19, No. 2, 55, (1994) Gassy, diffusive, metallic, waxy, with coumarin and citrus nuances
Flavor Type: Waxy
waxy, fatty, metallic, citrus
Mosciano, Gerard P&F 19, No. 2, 55, (1994) At 2.00 ppm. Waxy, fatty, metallic, with citrus nuances
An interesting topnote for fruit flavors such as peach and apricot. Waxy fatty
General comment Waxy fatty metallic citrus

Occurrences

Safety Information

Safety information

European information :
Most important hazard(s):
N - Dangerous for the environment.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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)
Skin irritation (Category 2), H315
Skin sensitisation (Category 1), H317
Eye irritation (Category 2A), H319
Chronic aquatic toxicity (Category 3), H412
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H317 - May cause an allergic skin reaction
H319 - Causes serious eye irritation
H330 - Fatal if inhaled
H412 - Harmful to aquatic life with long lasting effects
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P272 - Contaminated work clothing should not be allowed out of the workplace.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973.

Dermal Toxicity:
skin-rabbit LD50 > 10000 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl undecanal (aldehyde C-12 mna) usage levels up to:
2.0000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -1.30000
beverages(nonalcoholic): -0.31000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.20000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.11000
fruit ices: -0.11000
gelatins / puddings: 0.500002.50000
granulated sugar: --
gravies: --
hard candy: -0.94000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.33000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-41-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61031
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methylundecanal
Chemidplus:0000110418
RTECS:YQ1509000 for cas# 110-41-8