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

(-)-isolongifolene
2H-2,4a-methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-

Supplier Sponsors

CAS Number: 1135-66-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-494-2
Beilstein Number:2207559
MDL:MFCD00042616
XlogP3-AA:5.00 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (DG SANCO, 2012).
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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92600 to 0.93200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.705 to 7.755
Refractive Index:1.49500 to 1.50100 @ 20.00 °C.
Boiling Point: 255.00 to 257.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.014000 mmHg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.22 °C. )
logP (o/w): 6.150 (est)
Soluble in:
 alcohol
 water, 0.1401 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
woody dusty amber incense
Odor Description:at 100.00 %. woody dusty amber incense
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Anhui Haibei
isoLongifolene
Odor: Pine woody
ExtraSynthese
For experimental / research use only.
isoLongifolene (GC) ≥98% (sum of enantiomers)
Foreverest Resources
Isolongifolene 85%
Odor: characteristic
Use: Isolongifolene has woody and amber incense odors, has been widely used as fragrances in cosmetics, perfumers, space sprays, detergents, deodorants, fabrics, fibers, and soap, tobacco, creams, paper products. In addition, Isolongifolene inhibits tyrosinase that is multifunctional copper-containing enzyme for melanin biosynthesis in plants and animals, also, hydrogenated Isolongifolene has been used as a bridged core to prepare a chiral ligand for the estrogen receptor that could be useful in regulating fertility, preventing, and treating breast cancer, and for menopausal hormone replacement. Isolongifolene also used as a natural insecticide and pesticide.
Fuzhou Farwell
Iso Longifolene 75%/80%
Lluch Essence
ISOLONGIFOLENE
Moellhausen
IsoLONGIFOLENE
Odor: soft woody, slightly dusty
Penta International
ISOLONGIFOLENE
Reincke & Fichtner
isoLongifolene
Santa Cruz Biotechnology
For experimental / research use only.
(-)-isoLongifolene ≥91%
Sigma-Aldrich: Aldrich
For experimental / research use only.
(-)-Isolongifolene ≥98.0% (sum of enantiomers, GC)
SRS Aromatics
ISOLONGIFOLENE
 
Safety Information:
Preferred SDS: View
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:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (-)-isolongifolene usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3500 (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
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): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): --
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):

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

EPI System: View
EPA Substance Registry Services (TSCA):1135-66-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :102562
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2319
WGK Germany:3
(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
Chemidplus:0001135666
 
References:
 (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1135-66-6
Pubchem (cid):102562
Pubchem (sid):135058579
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
2-
methyl undecanal dimethyl acetal
FR
amber
amber decane
FR
cistus ladaniferus absolute resin
FL/FR
balsamic
mastic gum resin
FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax absolute replacer
FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
opoponax resinoid replacer
FR
floral
linalool terpenes
FR
waxy
tetradecanal
FL/FR
woody
amber dioxane
FR
amber formate
FR
cedryl methyl ether
FR
frankincense resin
FL/FR
(±)-
tetrahydronootkatone
FL/FR
tobacarol (IFF)
FR
For Flavor
No flavor group found for these
(±)-
tetrahydronootkatone
FL/FR
amber
amber
cistus ladaniferus absolute resin
FL/FR
balsamic
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
fatty
tetradecanal
FL/FR
woody
frankincense resin
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 juniper branch oil @ 0.50%
Data GC Search Trop Picture
 
Synonyms:
1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4-methanophthalene
(2S,4aR)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
 hexahydrotetramethyl methanonaphthalene
(-)-isolongifolene
isolongifolene
2H-2,4a-methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-
2H-2,4a-methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
2,2,7,7-tetramethyl tricyclo(6.2.1(1,8).0(1,6))undec-5-ene
 
 
Notes:
None found
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