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alpha-terpinyl methyl ether

Chemical Structure

General Material Information

Preferred name alpha-terpinyl methyl ether
Trivial Name α-Terpinyl methyl ether
Short Description orange flower ether (IFF)
Formula C11 H20 O
CAS Number 14576-08-0
Flavis Number 3.02
ECHA Number 238-620-0
FDA UNII J85U4SDI1I
Nikkaji Number J138.274H
MDL MFCD00217034
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-
  • p- menth-1-en-8-yl methyl ether
  • para- menth-1-en-8-yl methyl ether
  • 4-(1-methoxy-1-methyl ethyl)-1-methyl cyclohexene
  • 4-(1-methoxy-1-methylethyl)-1-methylcyclohexene
  • methoxyisopropyl methyl cyclohexene
  • 4-(2-methoxypropan-2-yl)-1-methylcyclohexene
  • methyl 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl ether
  • orange flower ether (IFF)
  • orangeflower ether (IFF)
  • a- terpineol methyl ether
  • a- terpineol, methyl ether
  • terpinyl methyl ether
  • alpha- terpinyl methyl ether
  • 4-(2-methoxypropan-2-yl)-1-methylcyclohexene
  • Ether, p-menth-1-en-8-yl methyl
  • 4-(1-Methoxy-1-methylethyl)-1-methylcyclohexene
  • α-Terpineol, methyl ether
  • Methyl α-terpinyl ether
  • α-Terpinyl methyl ether
  • NSC 52566
  • Orange flower ether
  • 4-(2-Methoxypropan-2-yl)-1-methylcyclohex-1-ene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.27960205078
Specific gravity @ 25 °C
Pounds per Gallon 7.456 to 7.522
Specific gravity @ 20 °C
Pounds per Gallon 7.473 to 7.539
Refractive Index 1.464 to 1.468 @ 20 °C
Vapor Pressure 0.458 mmHg @ 25 °C
Flash Point TCC Value 82.22 °C TCC
logP (o/w) 3.54
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 22.61 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Citrus
citrus, grapefruit, bergamot, orangeflower, vegetable, celery, spicy, earthy
Odor strength medium
Substantivity < 4 hour(s) at 100.00 %
General comment At 100.00 %. citrus grapefruit bergamot orangeflower vegetable celery spicy earthy
Flavor Type: Woody
woody, celery, earthy, sweet, spicy
General comment Woody celery earthy sweet spicy

Occurrences

Potential Uses

Applications
Odor purposes Bergamot, Celery, Citrus, Grapefruit, Lilac, Neroli, Orange blossom, Petitgrain
Flavoring purposes Vegetable
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 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:
Not determined
Dermal Toxicity:
Not determined
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 alpha-terpinyl methyl ether usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3200 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
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): 3.0000015.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 15.0000075.00000
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

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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000
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Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
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Scientific Opinion on Flavouring Group Evaluation 23, Revision 2 (FGE.23Rev2): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30
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Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010)
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Scientific Opinion on Flavouring Group Evaluation 23, Revision 3 (FGE.23Rev3): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 23, Revision 4 (FGE.23Rev4): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 22, 26 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):14576-08-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :85755
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(2-methoxypropan-2-yl)-1-methylcyclohexene
Chemidplus:0014576080