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

beta-sesquiphellandrene
(S-(R*,S*))-3-(1,5-dimethyl-4-hexenyl)-6-methylene cyclohexene

Supplier Sponsors

Name:3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CAS Number: 20307-83-9Picture of molecule3D/inchi
XlogP3-AA:5.40 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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
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: 96.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 270.00 to 272.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.011000 mmHg @ 25.00 °C. (est)
Flash Point: 226.00 °F. TCC ( 107.78 °C. )
logP (o/w): 6.522 (est)
Soluble in:
 alcohol
 water, 0.01283 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
herbal fruity woody
Odor Description:at 100.00 %. herbal fruity woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
beta-sesquiPhellandrene
 
Safety Information:
 
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:
natural substances and extractives
Recommendation for beta-sesquiphellandrene usage levels up to:
 not for fragrance use.
 
Recommendation for beta-sesquiphellandrene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5321277
National Institute of Allergy and Infectious Diseases:Data
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
Chemidplus:0020307839
 
References:
 3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5321277
Pubchem (sid):135231218
Flavornet:20307-83-9
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
KEGG (GenomeNet):C16776
HMDB (The Human Metabolome Database):HMDB36163
FooDB:FDB015016
YMDB (Yeast Metabolome Database):YMDB16103
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
For Odor
acidic
2-
methyl-2-pentenoic acid
FL/FR
alcoholic
fusel oil
FL/FR
anisic
amyl furoate
FL/FR
balsamic
dextro,laevo-iso
borneol
FL/FR
iso
bornyl acetate
FL/FR
fir carboxylate
FR
camphoreous
dextro-
camphor
FL/FR
caramellic
diethyl malate
FL/FR
earthy
2-
octanone
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
anise indene
FR
benzyl acetone
FL/FR
boronia absolute
FL/FR
butyl tiglate
FR
cassis cyclohexene
FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
beta-
ionone
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
N-
methyl ionone
FR
alpha-iso
methyl ionone (90% min.)
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
nonisyl propionate
FR
petitgrain bigarade oil
FL/FR
petitgrain lemon oil
FL/FR
prenyl salicylate
FL/FR
rose undecene
FR
fruity
para-
anisyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
dihydroactinidolide
FL/FR
green acetate
FR
linalool oxide acetates
FL/FR
para-
menth-1-ene-9-ol
FL/FR
2-
methyl butyl isovalerate
FL/FR
green
iso
butyl heptanoate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
iso
cyclocitral (IFF)
FL/FR
hexyl tiglate
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
iso
amyl heptanoate
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
alpha-
cadinol
FL/FR
chamomile propionate
FR
chamomile valerate
FR
coriander oleoresin
FL/FR
cuminyl acetate
FL/FR
dimethyl cyclormol (IFF)
FR
herbal undecanone
FR
immortelle flower oil
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl salicylate
FL/FR
methyl cyclogeranate (Firmenich)
FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
nonisyl acetate
FR
3-
octanon-1-ol
FL/FR
curled
parsley leaf oil
FL/FR
rue oil
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
tea leaf absolute
FL/FR
thyme oil wild or creeping
FL/FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
minty
pennyroyal oil
FL/FR
orris
orris capronate
FL/FR
spicy
cinnamon acrolein
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
N,N-
diethyl octanamide
FR
4-iso
propyl-2-cyclohexenone
FL/FR
thujonic
common
tansy leaf oil dutch
FR
woody ketone
FL/FR
woody
camphene
FL/FR
(+)-
camphene
FL/FR
cistus twig/leaf oil
FL/FR
2-
decalinyl acetate
FR
marine formate
FR
patchouli absolute
FR
polylimonene
FL/FR
spruce needle oil canada
FL/FR
For Flavor
No flavor group found for these
amyl furoate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
iso
butyl heptanoate
FL/FR
alpha-
cadinol
FL/FR
(+)-
camphene
FL/FR
cuminyl acetate
FL/FR
8,9-
dehydrotheaspirone
FL
diethyl malate
FL/FR
dihydroactinidolide
FL/FR
ethyl 4-pentenoate
FL/FR
linalool oxide acetates
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
2-
methyl butyl salicylate
FL/FR
1-
methyl pyrrole
FL
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
viridiflorol
FL/FR
woody ketone
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
citrus
petitgrain bigarade oil
FL/FR
petitgrain lemon oil
FL/FR
dairy
2-
octanone
FL/FR
ethereal
methyl hexyl ether
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
fruity
benzyl acetone
FL/FR
3-
benzyl-4-heptanone
FL/FR
boronia absolute
FL/FR
buchu mercaptan acetate
FL/FR
butyl heptanoate
FL/FR
fusel oil
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
iso
amyl salicylate
FL/FR
iso
butyl methyl ketone
FL/FR
iso
cyclocitral (IFF)
FL/FR
hexyl tiglate
FL/FR
para-
methyl hydratropaldehyde
FL/FR
3-
nonanone
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
coriander oleoresin
FL/FR
immortelle flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
para-
menth-1-ene-9-ol
FL/FR
curled
parsley leaf oil
FL/FR
prenyl salicylate
FL/FR
rue oil
FL/FR
thyme oil wild or creeping
FL/FR
medicinal
dextro-
camphor
FL/FR
minty
pennyroyal oil
FL/FR
orris
orris capronate
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
cinnamon acrolein
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
tea
tea leaf absolute
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
woody
iso
bornyl acetate
FL/FR
cistus twig/leaf oil
FL/FR
beta-
ionone
FL/FR
(Z)-
jasmone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FRacacia
FRamber
FRambergris
FRambreine
FRamyris
FL/FRangelica
FRapple
FRcrabapple
FRapple green apple
FRapple red apple
FRapricot
FRarnica flower
FLarrack
FRash mountain ash
FRash mountain ash berry
FRbanana
FRbark
FRbasil oil replacer
FRbayberry
FRbayberry
FL/FRbeech
FL/FRbenzoin absolute replacer
FRbergamot
FRberry
FRberry jam
FL/FRbirch tar
FRblackberry
FRblue grass
FRblueberry
FRbois de rose
FRboronia
FRboxwood
FRboxwood berry
FRboysenberry
FRbramble arctic bramble blackberry
FLbrandy apricot brandy
FRbubble gum
FLbuchu leaf
FRcabreuva wood
FRcade oil replacer
FL/FRcajeput
FRcalamus oil replacer
FL/FRcamphor tree bark
FLcapsicum
FL/FRcaraway seed
FRcardamom oil replacer
FLcarrot
FL/FRcarrot seed
FRcedar
FRcedar forest
FRcedarwood
FRcedarwood atlas
FRcelery
FRchamomile
FRcherry
FRcherry black cherry
FLcherry maraschino cherry
FLcherry wild cherry
FLchervil
FRchrysanthemum
FRcigar
FL/FRcilantro
FL/FRcistus
FRcitronella
FRclary sage oil replacer
FLcloudberry bakeapple
FL/FRcoriander
FRcostus
FRcranberry
FL/FRcroton eluteria bark
FL/FRcubeb
FRcurrant
FRcurrant black currant
FL/FRcurrant bud absolute replacer
FRcurrant red currant
FRcypress oil replacer
FRdate
FRdavana oil replacer
FRdeertongue absolute replacer
FL/FRdill weed
FRdogwood
FLdurian
FReglantine
FRelder berry
FRelder flower
FRelemi
FReucalyptus oil replacer
FRfennel
FRfern
FRfig
FRfir needle oil replacer
FRflouve
FRforest
FRfruit
 fruit dried fruit
 fruit jam
FRfruit juicy fruit
FLfruit punch
FLfruit tropical fruit
FL/FRgalangal root
FRgalbanum
FRgenet
FLgin
FRginger
FRginger white ginger
FRgingergrass
FRgooseberry
FRgrape
FRgrape concord grape
FLgrape white grape
FL/FRguaiacwood
FRguava
FRgurjun balsam
FRhay new mown hay
FRheather
FRherbal
FRhibiscus
FRhinoki oil replacer
FRhollyberry
FLhoneydew
FRhop
FRhuckleberry
FL/FRhyssop
FL/FRimmortelle
FRiris blossom
FRivy
FLjackfruit
 jam
FRjuniper
FRjuniper berry
FRkiwi
FRlabdanum
FRlavandin
FRlavender
FL/FRlavender flower
FL/FRlavender spike lavender
 loganberry dewberry
FL/FRlovage root
FLlychee
FRmace
FRmaja
FLmango
FL/FRmarigold
FL/FRmarjoram
FLmate
 meadow
FRmelissa oil replacer
FRmelon
FRmelon
FLmimosa
FRmulberry
FRmyrtle oil replacer
FRniaouli
FRoakwood
FRolibanum
FRopoponax
FLorange bitter orange
FRoregano
FRorris
FRosmanthus
FRpapaya
FLparsley
 parsnip
FRpassion blossom
FRpassion fruit
FRpatchouli
FRpeach
FLpear
FLpear bartlett pear
FLpear emperor pear
FLpina colada
 pine dwarf pine
FRpine forest
FRpineapple
FRpinion
FRplum
FLplum greengage plum
 plum jam
FRplum mirabelle plum
FRpomegranate
FRprune
FRquince
FLraisin
FRraspberry
FRraspberry black raspberry
 raspberry green raspberry
 raspberry jam
FLraspberry red raspberry
FRredwood
FRreseda
 ripe
 rose wild rose
FRrosemary
FL/FRrue
FRsaffron
FRsandalwood
FL/FRsavin
FRspikenard oil replacer
FLspruce
FLstarfruit
FRstrawberry
 strawberry jam
FRsweet grass
FLtamarind
FL/FRtansy oil replacer
FL/FRtarragon oil replacer
FLtea
FLtea black tea
 tea china
FLtea green tea
FLtea herbal tea
FLtea lemon tea
FRthyme oil white replacer
 timber
FRtolu balsam
FLtutti frutti
FL/FRvalerian
FRvetiver
FLwatermelon
FRwitch hazel
FRwoodruff
FRwoody
FRwormseed oil replacer
FRwormwood oil replacer
FRyew
 
Occurrence (nature, food, other):note
 alpinia galanga oil @ 1.60%
Data GC Search Trop Picture
 boronia absolute @ 0.02%
Data GC Search Trop Picture
 cajuput oil vietnam @ trace%
Data GC Search Trop Picture
 carrot seed oil @ 0.25%
Data GC Search Trop Picture
 ginger rhizome
Search Trop Picture
 ginger rhizome oil
Search Trop Picture
 ginger root oil
Search Trop Picture
 ginger root oil brazil @ 7.00%
Data GC Search Trop Picture
 ginger root oil CO2 extract @ 6.81%
Data GC Search Trop Picture
 ginger root oil CO2 extract australia @ 8.18%
Data GC Search Trop Picture
 jambu flower oil brazil @ 0.10%
Data GC Search Trop Picture
 lime oil expressed florida @ trace%
Data GC Search Trop Picture
 mandarin fruit
Search Trop Picture
 mayur pankh fruit oil himalaya @ 0.70%
Data GC Search Trop Picture
 oregano plant
Search Trop Picture
 parsley leaf
Search Trop Picture
 parsley leaf oil @ 8.51%
Data GC Search Trop Picture
 parsley leaf oil cuba @ 1.04%
Data GC Search Trop Picture
 rosemary
Search Trop Picture
 tea leaf
Search Trop Picture
 thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.70%
Data GC Search Trop Picture
 turmeric rhizome
Search Trop Picture
 turmeric root oil CO2 extract @ 3.17%
Data GC Search Trop Picture
 turmeric root oil vietnam @ 3.00%
Data GC Search Trop Picture
 
Synonyms:
(S-(R*,S*))-3-(1,5-dimethyl-4-hexenyl)-6-methylene cyclohexene
(R)-3-methylene-6-((S)-6-methyl hept-5-en-2-yl) cyclohex-1-ene
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
 

Articles:

PubMed:Psychoneuropharmacological activities and chemical composition of essential oil of fresh fruits of Piper guineense (Piperaceae) in mice.
PubMed:Medicinal plants from the genus Acalypha (Euphorbiaceae)--a review of their ethnopharmacology and phytochemistry.
PubMed:Evaluation of chemical profile and antioxidant activity of Tripleurospermum insularum, a new species from Turkey.
PubMed:Chemical composition, antimicrobial and antioxidant activities of the essential oil of Psammogetoncanescens.
PubMed:Engineering the lactococcal mevalonate pathway for increased sesquiterpene production.
PubMed:Functional characterization of sesquiterpene synthase from Polygonum minus.
PubMed:Chemical composition, antioxidant, anti-inflammatory and anti-proliferative activities of essential oils of plants from Burkina Faso.
PubMed:Chemical composition and biological activity of Conyza bonariensis essential oil collected in Mérida, Venezuela.
PubMed:Variability of the root essential oils of Seseli rigidum Waldst. & Kit. (Apiaceae) from different populations in Serbia.
PubMed:[Influence of processing methods on the chemical composition of the essential oil from Aucklandia lappa].
PubMed:Overexpressing 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) in the lactococcal mevalonate pathway for heterologous plant sesquiterpene production.
PubMed:Suites of terpene synthases explain differential terpenoid production in ginger and turmeric tissues.
PubMed:Chemical constituents of the leaf of Alpinia mutica Roxb.
PubMed:Differences in the volatile compositions of ginseng species (Panax sp.).
PubMed:Chemotypification of Astrantia major L. (Apiaceae): essential-oil and lignan profiles of fruits.
PubMed:Essential oil of Curcuma longa inhibits Streptococcus mutans biofilm formation.
PubMed:A single amino acid determines the site of deprotonation in the active center of sesquiterpene synthases SbTPS1 and SbTPS2 from Sorghum bicolor.
PubMed:Pheromonal cross-attraction in true bugs (Heteroptera): attraction of Piezodorus hybneri (Pentatomidae) to its pheromone versus the pheromone of Riptortus pedestris (Alydidae).
PubMed:Chemical composition of the essential oil of aerial parts of Haussknechtia elymaitica Boiss. from Iran: a good natural source for trans-asaron.
PubMed:Distribution and chemical polymorphism of the essential oils of Achillea cartilaginea growing wild in Lithuania.
PubMed:Dynamic evolution of herbivore-induced sesquiterpene biosynthesis in sorghum and related grass crops.
PubMed:Chemical compositions of the rhizome oils of two Alpinia species of Malaysia.
PubMed:Invasion inhibitors of human fibrosarcoma HT 1080 cells from the rhizomes of Zingiber cassumunar: structures of phenylbutanoids, cassumunols.
PubMed:Behavioral responses of the leafhopper, Cicadulina storeyi China, a major vector of maize streak virus, to volatile cues from intact and leafhopper-damaged maize.
PubMed:Free radical scavenging activity and characterization of sesquiterpenoids in four species of Curcuma using a TLC bioautography assay and GC-MS analysis.
PubMed:Chemical composition and antibacterial activity of essential oils of Tripleurospermum disciforme in three developmental stages.
PubMed:Immunotoxicity activity of the major essential oils of Valeriana fauriei Briq against Aedes aegypti L.
PubMed:Chemical composition of the essential oils from the roots of Erigeron acris L. and Erigeron annuus (L.) Pers.
PubMed:[Analysis of volatile and non-volatile compositions in ginger oleoresin by gas chromatography-mass spectrometry].
PubMed:[Characterization of chemical components of essential oil from flowers of Chrysanthemum morifolium produced in Anhui province].
PubMed:The chemical volatiles (semiochemicals) produced by neotropical stink bugs (Hemiptera: Pentatomidae).
PubMed:Chemical composition of the essential oil of Elephantopus scaber from Southern China.
PubMed:Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum.
PubMed:[Analysis of volatile oil in herb of pimpinella candolleana by SPME-GC-MS].
PubMed:A male-produced sex pheromone from the neotropical redbanded stink bug, Piezodorus guildinii (W).
PubMed:An evaluation of the allelopathic potential of selected perennial groundcovers: foliar volatiles of catmint (Nepeta x faassenii) inhibit seedling growth.
PubMed:Development of gas chromatography-mass spectrometry with microwave distillation and simultaneous solid-phase microextraction for rapid determination of volatile constituents in ginger.
PubMed:Essential oil composition of diploid and tetraploid clones of ginger (Zingiber officinale Roscoe) grown in Australia.
PubMed:Analysis of leaf surface sesquiterpenes in potato varieties.
PubMed:Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae).
PubMed:Identification of an EcoRI restriction site for a rapid and precise determination of beta-asarone-free Acorus calamus cytotypes.
PubMed:Analysis by gas chromatography-mass spectrometry of the essential oil from the aerial parts of Pimpinella junoniae Ceb. & Ort., gathered in La Gomera, Canary Islands, Spain.
PubMed:Zingiberene and curcumene in wild tomato.
PubMed:[Chemical constituents in volatile oil from the flos of Dendranthema indicum var. aromaticum var. nov].
PubMed:Sex attractant pheromone of the red-shouldered stink bug Thyanta pallidovirens: a pheromone blend with multiple redundant components.
PubMed:[Determination of chemical constituents of the volatile oil from Curcuma longa by gas chromatography-mass spectrometry].
PubMed:[Study on chemical constituents of Dendranthema morifolium by GC-MS].
PubMed:Molecular cloning, expression, and characterization of amorpha-4,11-diene synthase, a key enzyme of artemisinin biosynthesis in Artemisia annua L.
PubMed:Isolation of antirhinoviral sesquiterpenes from ginger (Zingiber officinale).
PubMed:[Terpenoids and curcuminoids of the rhizoma of Curcuma xanthorrhiza Roxb].
PubMed:[Stomachic principles in ginger. II. Pungent and anti-ulcer effects of low polar constituents isolated from ginger, the dried rhizoma of Zingiber officinale Roscoe cultivated in Taiwan. The absolute stereostructure of a new diarylheptanoid].
PubMed:Essential Oils of Achillea ptarmica.
PubMed:The essential oil from Thymus praecox ssp. arcticus growing in Iceland.
 
Notes:
Constit. of the oil of ginger (Zingiber officinale)
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