dodecane
C12-14-alkanes
 
Notes:
Dodecane is a liquid alkane hydrocarbon with the chemical formula CH3(CH2)10CH3. It is an oily liquid of the paraffin series and has 355 isomers. (Wikipedia)
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      Product(s):
      S0284 Dodecane [Standard Material for GC] >99.5%(GC)
       
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dodecane (Click)
CAS Number: 112-40-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 203-967-9
FDA UNII: 11A386X1QH
Nikkaji Web: J1.995J
Beilstein Number: 1697175
MDL: MFCD00008969
XlogP3: 6.10 (est)
Molecular Weight: 170.33922000
Formula: C12 H26
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
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
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
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Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 01.038 (Old)
DG SANTE Food Flavourings: 01.038  dodecane
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Water Content: <0.003%
Food Chemicals Codex Listed: No
Specific Gravity: 0.74600 to 0.75200 @  25.00 °C.
Pounds per Gallon - (est).: 6.207 to  6.257
Refractive Index: 1.41700 to 1.42300 @  20.00 °C.
Melting Point: -12.00 to  -9.00 °C. @ 760.00 mm Hg
Boiling Point: 215.00 to  217.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.135000 mm/Hg @ 25.00 °C.
Vapor Density: 5.96 ( Air = 1 )
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 6.100
Soluble in:
 alcohol
 water, 0.1099 mg/L @ 25 °C (est)
 water, 0.0037 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
alkane
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
EMD Millipore
For experimental / research use only.
n-Dodecane
Sigma-Aldrich
For experimental / research use only.
Dodecane anhydrous, ≥99%
TCI AMERICA
For experimental / research use only.
Dodecane [Standard Material for GC] >99.5%(GC)
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 36 - Wear suitable protective clothing.
 
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:
intravenous-mouse LDLo  2672 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 > 142 ppm/8H
Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

inhalation-rat LC50 > 142 ppm/8H
Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

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Safety in Use Information:
Category: fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31
View page or View pdf
Bioaccumulation and toxicity of mineral oil hydrocarbons in rats - specificity of different subclasses of a broad mixture relevant for human dietary exposures
View page or View pdf
EPI System: View
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 112-40-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 8182
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 dodecane
Chemidplus: 0000112403
EPA/NOAA CAMEO: hazardous materials
RTECS: JR2125000 for cas# 112-40-3
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References:
 dodecane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 112-40-3
Pubchem (cid): 8182
Pubchem (sid): 134973168
Flavornet: 112-40-3
Pherobase: View
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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
CHEBI: View
CHEMBL: View
Golm Metabolome Database: Search
KEGG (GenomeNet): C08374
HMDB (The Human Metabolome Database): HMDB31444
FooDB: FDB004726
Export Tariff Code: 2901.29.1010
Haz-Map: View
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
•adakane 12 •ba 51-090453 •bihexyl •dihexyl •duodecane
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 beans - 0.10 mg/kg
Search  Picture
 bergamot oil @ 0.000-0.006%
Data  GC  Search Trop  Picture
 butter - up to 3.5 mg/kg
Search  Picture
 cabocla flower oil brazil @ 0.30%
Data  GC  Search Trop  Picture
 carnation absolute @ <0.01%
Data  GC  Search Trop  Picture
 carrot leaf oil @ 0.48%
Data  GC  Search Trop  Picture
 cassie absolute @ 0.15%
Data  GC  Search Trop  Picture
 chicken - 0.02 mg/kg
Search  Picture
 cocoa - 0.10 mg/kg
Search Trop  Picture
 costmary oil @ 0.50%
Data  GC  Search Trop  Picture
 couroupita guianensis aubl. flower oil brazil @ 0.10%
Data  GC  Search Trop  Picture
 dialium guineense wild.fruit oil france @ 5.60%
Data  GC  Search Trop  Picture
 dill - 0.08 mg/kg
Search Trop  Picture
 egg - up to 0.004 mg/kg
Search  Picture
 eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.50%
Data  GC  Search Trop  Picture
 fish raw fish - 0.0006 mg/kg
Search  Picture
 guinea hen - 0.009 mg/kg
Search  Picture
 jambu flower oil brazil @ 0.10%
Data  GC  Search Trop  Picture
 lamb - up to 0.10 mg/kg
Search  Picture
 lecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 0.20%
Data  GC  Search Trop  Picture
 licorice - trace amount
Search Trop  Picture
 loquat fruit - up to 0.01 mg/kg
Search Trop  Picture
 orange bigarade oil @ 0.36%
Data  GC  Search  Picture
 papaya fruit - up to 0.01 mg/kg
Search Trop  Picture
 papaya seed oil
Search Trop  Picture
 passiflora - up to 0.10 mg/kg
Search  Picture
 pea - 0.01 mg/kg
Search Trop  Picture
 strawberry wild strawberry fruit - up to 0.05 mg/kg
Search Trop  Picture
 tea - 0.10 mg/kg
Search Trop  Picture
 tomato
Search Trop  Picture
 ulva rigida oil greece @ 1.30%
Data  GC  Search  PMC Picture
 walnut black walnut oil
Search Trop  Picture
 witch hazel leaf oil @ 0.03%
Data  GC  Search Trop  Picture
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Synonyms:
 adakane 12
C12-14-alkanes
N-dodecane
 norpar 13
normal paraffin M
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