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

(E)-sabinene hydrate
trans-4-thujanol

Supplier Sponsors

Name:(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
CAS Number: 17699-16-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:241-703-4
FDA UNII:DS203S42BJ
Nikkaji Web:J283.028K
XlogP3-AA:2.10 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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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
Food Chemicals Codex Listed: No
Boiling Point: 201.00 to 202.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.075000 mmHg @ 25.00 °C. (est)
Flash Point: 176.00 °F. TCC ( 80.00 °C. )
logP (o/w): 2.529 (est)
Soluble in:
 alcohol
 water, 440.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. woody balsam
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(2R,5R)-2-Methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol 95%
 
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:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E)-sabinene hydrate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6326181
National Institute of Allergy and Infectious Diseases:Data
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
Chemidplus:017699160
 
References:
 (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6326181
Pubchem (sid):135042803
Flavornet:17699-16-0
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
FooDB:FDB029677
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
iso
butyl quinoline
FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
sumatra
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
alpha-
bisabolene
FL/FR
laevo-
bornyl acetate
FL/FR
brachyleana hutchinsii wood oil
FR
cinnamyl benzoate
FL/FR
conifer acetate
FR
copaiba balsam oil
FL/FR
fir needle oil canada
FL/FR
fir needle oil terpeneless canada
FL/FR
frankincense absolute
FL/FR
guaiyl butyrate
FR
hemlock western oil (tsuga heterophylla) canada
FR
juniper berry absolute
FL/FR
methyl hydrogenated rosinate
FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
myrrh resinoid
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
tolu balsam absolute
FL/FR
tolu balsam oil
FL/FR
tolu balsam resinoid
FL/FR
annus
wormwood oil france
FL/FR
citrus
lime oil distilled terpeneless
FL/FR
alpha-
methylene citronellal
FR
petitgrain combava oil
FR
floral
bigarade oxide
FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellyl anthranilate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
ethyl ethyl anthranilate
FL/FR
neryl formate
FL/FR
bitter
orangeflower water absolute
FL/FR
petitgrain cedrat oil
FL/FR
iso
phytol
FL/FR
reseda absolute
FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
butyl anthranilate
FL/FR
ethyl methyl anthranilate
FL/FR
green
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
1-
heptanol
FL/FR
hexyl hexanoate
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum gum
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
herbal carene
FR
herbal heptane
FR
hop absolute
FL/FR
hop oil
FL/FR
linalyl octanoate
FL/FR
marigold oil mexico
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
petitgrain heptane
FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
tricyclodecyl acetate
FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
wormwood oil america
FL/FR
wormwood oil cuba
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
minty
ethyl salicylate
FL/FR
mossy
treemoss absolute
FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
bay leaf oil terpeneless
FL/FR
benzyl isoeugenol
FL/FR
iso
butyl angelate
FL/FR
cinnamyl acetate
FL/FR
(-)-
cubenol
FL/FR
iso
cyclogeraniol (IFF)
FR
elettaria cardamomum seed oil
FL/FR
mace oil CO2 extract
FL/FR
myrcene
FR
myristicin
FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
terpenic
elemi resinoid
FL/FR
pine needle oil dwarf
FL/FR
tonka
tonka undecanone
FR
woody
agarwood oil
FR
copaiba balsam
FL/FR
guaiacwood oil
FL/FR
alpha-
guaiene
FL/FR
gurjun balsam oil
FR
alpha-
gurjunene
FR
4-
hydroxybenzaldehyde
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santalyl butyrate
FL/FR
vetiverol
FL/FR
woody octene
FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
1-
benzoyl acetone
FL/FR
alpha-
bisabolene
FL/FR
cinnamyl benzoate
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl methyl anthranilate
FL/FR
fir needle oil canada
FL/FR
alpha-
guaiene
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
santalyl butyrate
FL/FR
annus
wormwood oil france
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
sumatra
benzoin resin
FL/FR
siam
benzoin resin
FL/FR
siam
benzoin resinoid
FL/FR
sumatra
benzoin resinoid
FL/FR
laevo-
bornyl acetate
FL/FR
copaiba balsam oil
FL/FR
fir needle oil terpeneless canada
FL/FR
juniper berry absolute
FL/FR
myrrh absolute
FL/FR
myrrh gum
FL/FR
myrrh resin
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
peru balsam
FL
tolu balsam absolute
FL/FR
tolu balsam oil
FL/FR
tolu balsam resinoid
FL/FR
citrus
lime oil distilled terpeneless
FL/FR
petitgrain cedrat oil
FL/FR
cooling
theaspirane
FL/FR
creamy
4-
hydroxybenzaldehyde
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
bitter
orangeflower water absolute
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
butyl anthranilate
FL/FR
citronellyl anthranilate
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
neryl formate
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
iso
butyl angelate
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum gum
FL/FR
elemi resinoid
FL/FR
galbanum absolute
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
marigold oil mexico
FL/FR
rosemary absolute
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
wormwood oil cuba
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
medicinal
frankincense absolute
FL/FR
minty
ethyl salicylate
FL/FR
nutty
furfural acetone
FL
oily
iso
phytol
FL/FR
pine
pine needle oil dwarf
FL/FR
solvent
1-
heptanol
FL/FR
spicy
bay leaf oil terpeneless
FL/FR
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
benzyl isoeugenol
FL/FR
cinnamyl acetate
FL/FR
(-)-
cubenol
FL/FR
elettaria cardamomum seed oil
FL/FR
galangal root oleoresin
FL
mace oil CO2 extract
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
woody
copaiba balsam
FL/FR
guaiacwood oil
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 ajowan seed oil turkey @ 0.19%
Data GC Search Trop Picture
 bergamot plant wild
Search Trop Picture
 blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.012%
Data GC Search Trop Picture
 blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.009%
Data GC Search Trop Picture
 blood orange oil italy @ 0.016%
Data GC Search Trop Picture
 carrot seed oil spain @ 0.03-0.62%
Data GC Search Trop Picture
 cassis bud oil @ trace-0.54%
Data GC Search Trop Picture
 crithmum maritimum l. oil turkey @ 0.90%
Data GC Search Trop Picture
 cubeb oil @ trace%
Data GC Search Trop Picture
 curry leaf oil india @ <0.05%
Data GC Search Trop Picture
 ferula cupularis flower oil @ 0.48%
Data GC Search Trop Picture
 grapefruit oil c.p. @ trace%
Data GC Search Trop Picture
 grapefruit oil california @ 0.06%
Data GC Search Trop Picture
 grapefruit oil CO2 extract @ 0.01%
Data GC Search Trop Picture
 hyptis suaveolens (l.) poit. oil mali @ trace-0.10%
Data GC Search Trop Picture
 juniper berry oil CO2 extract @ 0.50%
Data GC Search Trop Picture
 laurel leaf oil turkey @ <0.10%
Data GC Search Trop Picture
 lavender oil france @ 0.11%
Data GC Search Trop Picture
 layana oil kenya @ 0.43%
Data GC Search Trop Picture
 layana oil wild zimbabwe @ 1.80-4.40%
Data GC Search Trop Picture
 layana oil zimbabwe @ 3.5%
Data GC Search Trop Picture
 lemon verbena oil morocco @ 0.6%
Data GC Search Trop Picture
 lemon verbena oil turkey @ 0.80%
Data GC Search Trop Picture
 lime oil expressed florida @ 0.1%
Data GC Search Trop Picture
 mace oil @ 0.20%
Data GC Search Trop Picture
 mace oil CO2 extract @ 0.90%
Data GC Search Trop Picture
 mandarin oil italy @ 0.04%
Data GC Search Trop Picture
 mandarin oil uruguay @ trace%
Data GC Search Trop Picture
 marjoram oil spain @ 0.40%
Data GC Search Trop Picture
 marjoram oil sweet cyprus @ 1.50-4.70%
Data GC Search Trop Picture
 marjoram oil sweet iran @ 3.10%
Data GC Search Trop Picture
 marjoram oil sweet turkey @ 0.51-0.70%
Data GC Search Trop Picture
 marjoram pot oil turkey @ 0.05-1.41%
Data GC Search Trop Picture
 myristica fragrans fruit oil @ 0.50%
Data GC Search Trop Picture
 nutmeg extract CO2 west indian @ 1.00%
Data GC Search Trop Picture
 nutmeg oil hydrodistilled india @ 0.5%
Data GC Search Trop Picture
 orange peel oil sweet c.p. blond italy @ 0.010%
Data GC Search Trop Picture
 orange peel oil sweet c.p. blond italy @ 0.011%
Data GC Search Trop Picture
 orange peel oil sweet c.p. blond italy @ 0.019%
Data GC Search Trop Picture
 orange peel oil sweet c.p. blond italy @ 0.022%
Data GC Search Trop Picture
 orange peel oil sweet c.p. blond italy @ 0.027%
Data GC Search Trop Picture
 peppermint oil america @ 1.14%
Data GC Search Trop Picture
 peppermint oil mongolia @ trace%
Data GC Search Trop Picture
 peppermint oil russia @ 2.29%
Data GC Search Trop Picture
 petitgrain combava oil @ 0.14%
Data GC Search Picture
 petitgrain mandarin oil @ 2.54%
Data GC Search Trop Picture
 plectranthus glandulosus hook f. leaf oil cameroon @ trace%
Data GC Search Trop Picture
 protium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
Data GC Search Trop Picture
 ravintsara leaf oil @ 0.08%%
Data GC Search Picture
 rosemary oil france @ 0.09-0.12%
Data GC Search Trop Picture
 rosemary oil morocco @ 0.04-0.19%
Data GC Search Trop Picture
 rosemary oil turkey @ 1.44%
Data GC Search Trop Picture
 sage oil spain @ 0.1-0.6%
Data GC Search Trop Picture
 sage oil spain @ 0.10%
Data GC Search Trop Picture
 savory oil summer @ 0.10-0.42%
Data GC Search Trop Picture
 savory oil winter @ 1.70%
Data GC Search Trop Picture
 savory oleoresin winter @ 1.70%
Data GC Search Trop Picture
 spearmint oil america @ 0.95-1.43%
Data GC Search Trop Picture
 thevetia peruviana (pers.) k. schum. flower oil brazil @ 0.60%
Data GC Search Trop Picture
 thyme oil portuguese @ 0.2%
Data GC Search Trop Picture
 thyme oil spain @ 0.22%
Data GC Search Trop Picture
 thyme oil spain @ 0.36%
Data GC Search Trop Picture
 trachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.40%
Data GC Search Trop Picture
 wormseed oil spain @ 0.06%
Data GC Search Trop Picture
 wormwood oil annus france @ 0.00-0.43%
Data GC Search Trop Picture
 wormwood oil italy @ 0.2%
Data GC Search Trop Picture
 yarrow leaf oil @ 10.20%
Data GC Search Trop Picture
 yarrow oil @ 0.20%
Data GC Search Trop Picture
 yarrow oil greece @ 0.40%
Data GC Search Trop Picture
 
Synonyms:
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
(1alpha,2alpha,5alpha)-2-methyl-5-(1-methyl ethyl) bicyclo(3.1.0)hexan-2-ol
trans-sabinene hydrate
(E)-4-thujanol
trans-4-thujanol
 

Articles:

PubMed:Essential Oil Characterization of Thymus vulgaris from Various Geographical Locations.
PubMed:Volatile Profile of Herniaria fontanesii Growing Spontaneously in Tunisia.
PubMed:Chemical diversity of wild growing Origanum majorana in Cyprus.
PubMed:Analysis of the essential oil of large cardamom (Amomum subulatum Roxb.) growing in different agro-climatic zones of Himachal Pradesh, India.
PubMed:Chemical composition, olfactory analysis and antibacterial activity of Thymus vulgaris chemotypes geraniol, 4-thujanol/terpinen-4-ol, thymol and linalool cultivated in southern France.
PubMed:Culture conditions and salt effects on essential oil composition of sweet marjoram (Origanum majorana) from Tunisia.
PubMed:Oil constituents of Artemisia nilagirica var. septentrionalis growing at different altitudes.
PubMed:Free radical scavenging and antiacetylcholinesterase activities of Origanum majorana L. essential oil.
PubMed:Solvent-free microwave extraction and hydrodistillation of essential oils from endemic Origanum husnucanbaseri H. Duman, Aytac & A. Duran: comparison of antibacterial activity and contents.
PubMed:The essential oils of the Greek endemic Satureja horvatii ssp. macrophylla in relation to bioclimate.
PubMed:Volatile oil composition and antiproliferative activity of Laurus nobilis, Origanum syriacum, Origanum vulgare, and Salvia triloba against human breast adenocarcinoma cells.
PubMed:Supercritical fluid extraction of oregano (Origanum vulgare) essentials oils: anti-inflammatory properties based on cytokine response on THP-1 macrophages.
PubMed:Systemic induction of monoterpene biosynthesis in Origanumxmajoricum by soil bacteria.
PubMed:Total phenolic content, radical scavenging properties, and essential oil composition of Origanum species from different populations.
PubMed:Analysis of essential oils of Artemisia absinthium L. from Lithuania by CC, GC(RI), GC-MS and 13C NMR.
PubMed:Essential oil composition of Laurus nobilis L. of different growth stages growing in Iran.
PubMed:Antibacterial activity and chemical constitutions of essential oils of Thymus persicus and Thymus eriocalyx from west of Iran.
PubMed:Supercritical carbon dioxide extraction of compounds with antimicrobial activity from Origanum vulgare L.: determination of optimal extraction parameters.
PubMed:Ratios of cis- and trans-Sabinene Hydrate in Origanum majorana L. and Origanum microphyllum (Bentham) Vogel.
PubMed:Chemotaxonomic study on Thymus villosus from Portugal.
PubMed:A convenient synthesis of trans-sabinene hydrate from (-)-3-thujol via a highly selective ene reaction of singlet oxygen.
PubMed:Monoterpene biosynthesis: mechanism and stereochemistry of the enzymatic cyclization of geranyl pyrophosphate to (+)-cis- and (+)-trans-sabinene hydrate.
PubMed:Monoterpene biosynthesis: demonstration of a geranyl pyrophosphate:sabinene hydrate cyclase in soluble enzyme preparations from sweet marjoram (Majorana hortensis).
 
Notes:
Flavouring compound [Flavornet]
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