(Z,E)-phytol
3,7,11,15-tetramethylhexadec-2-en-1-ol
 
Notes:
Phytol is a key acyclic diterpene alcohol that is a precursor for vitamins E and K1. Phytol is an extremely common terpenoid, found in all plants esterified to Chlorophyll to confer lipid solubility[citation needed].; Phytol is a natural linear diterpene alcohol which is used in the preparation of vitamins E and K1. It is also a decomposition product of chlorophyll. It is an oily liquid that is nearly insoluble in water, but soluble in most organic solvents. -- Wikipedia
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CAS Number: 7541-49-3Picture of molecule3D/inchi
Other(deleted CASRN): 844467-91-0
Beilstein Number: 1726098
MDL: MFCD00151280
XlogP3-AA: 8.20 (est)
Molecular Weight: 296.53800000
Formula: C20 H40 O
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: phytol 65.00%
 (Z)-phytol
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI: Search
FEMA Number: 4196 (Z,E)-phytol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):150-86-7 ; PHYTOL
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Physical Properties:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.84900 to 0.85300 @  25.00 °C.
Pounds per Gallon - (est).: 7.065 to  7.098
Refractive Index: 1.46200 to 1.46600 @  20.00 °C.
Boiling Point: 202.00 to  204.00 °C. @ 10.00 mm Hg
Boiling Point: 130.00 to  135.00 °C. @ 1.00 mm Hg
Vapor Pressure: 0.000008 mmHg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 8.230 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 dipropylene glycol
 water, very slightly
 water, 0.00327 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: low
 
Substantivity: 168 hour(s) at 100.00 %
 
 floral  balsamic  green  jasmin  
Odor Description:
at 100.00 %. 
mild light floral balsam green jasmin
Luebke, William tgsc, (2002)
 
 
Flavor Type: balsamic
 
 balsamic  green  metallic  nasturtium  vegetable  waxy  
Taste Description:
mild balsamic green metallic nasturtium vegetable waxy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: emollients
masking agents
perfuming agents
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Suppliers:
EMD Millipore
For experimental / research use only.
Phytol
Ernesto Ventós
PHYTOL BASF
Odor: FLORAL, BALSAMIC
Parchem
(Z,E)-phytol
Santa Cruz Biotechnology
For experimental / research use only.
Phytol
Sigma-Aldrich
Phytol, ≥97%, FG
Odor: balsam; floral
Certified Food Grade Products
The Good Scents Company
(Z,E)-phytol
Odor: mild light floral balsam green jasmin
Vigon International
PHYTOL NATURAL
WholeChem
Phytol, >=97%, FG
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
H335 - May cause respiratory irritation
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
P403 + P233 - Store in a well-ventilated place. Keep container tightly closed.
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50  > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Inhalation Toxicity:
Not determined
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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 (Z,E)-phytol usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
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Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 7541-49-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 145386
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3,7,11,15-tetramethylhexadec-2-en-1-ol
Chemidplus: 0007541493
RTECS: TJ3490000 for cas# 7541-49-3
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References:
 3,7,11,15-tetramethylhexadec-2-en-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 145386
Pubchem (sid): 46222750
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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
FDA Substances Added to Food (formerly EAFUS): View
Golm Metabolome Database: Search
KEGG (GenomeNet): C01389
HMDB (The Human Metabolome Database): HMDB02019
FooDB: FDB014472
Export Tariff Code: 2905.22.5050
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
aromatic
aromatic
(4E,9Z)-13-methyloxacyclopentadeca-4,9-dien-2-oneFR
balsamic
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 betula pubescens bud oilFL/FR
(E)-cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cyclohexyl benzoateFL/FR
 fir balsam absolute (abies balsamea)FR
(Z)-3-hexen-1-yl cinnamateFR
alpha-methyl cinnamyl alcoholFR
 pine needle absoluteFL/FR
 santolina oil 
 styreneCS
 valerian rhizome absoluteFL/FR
coconut
(R)-gamma-nonalactoneFL/FR
creamy
 waxy lactoneFL/FR
fatty
(S)-gamma-decalactoneFL/FR
floral
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 azalea fragranceFR
alpha-butyl cinnamaldehydeFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
(E)-cinnamophenone 
 citronellyl acetoneFL/FR
 cyclohexyl salicylateFR
(E,E)-digeranyl etherFL/FR
 dihydroisojasmonate methyl esterFR
 dimethyl benzyl carbinyl acetateFL/FR
 floral undecenoneFR
 herbal pyranFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 methyl dihydrojasmonateFL/FR
 methyl jasmonateFL/FR
 mimusops elengi flower oilFR
 narcissus acetateFL/FR
 neryl benzoateFL/FR
3-nonanoneFL/FR
(Z)-beta-ocimeneFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
3-phenyl propyl propionateFL/FR
 phytolFL/FR
isophytolFL/FR
2-isopropoxyethyl salicylateFR
isopropyl benzoateFL/FR
 styralyl isobutyrateFL/FR
 sweet pea absoluteFR
fruity
 ethyl isovalerateFL/FR
 ethyl methyl anthranilateFL/FR
 nerolidyl isobutyrateFR
2-pentyl butyrateFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 galbanum absoluteFL/FR
 galbanum absolute replacerFR
(E)-2-hexen-1-yl salicylateFR
 privet dioxaneFR
herbal
 cananga fruit oilFR
 canarium luzonicum oilFL/FR
 eucalyptus citriodora oilFR
2-methyl butyl salicylateFL/FR
 pinocarveolFL/FR
green tea leaf absoluteFL/FR
honey
 methyl hydrocinnamateFL/FR
resinous
 mastic absoluteFL/FR
spicy
 amyl isoeugenolFR
 cananga leaf oilFR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamyl acetateFL/FR
 cinnamyl propionateFL/FR
isoeugenyl acetateFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
black poplar bud absoluteFR
sulfurous
4-methoxy-alpha-toluene thiol 
waxy
 phytyl acetateFL/FR
woody
 bruyere root absoluteFR
 patchouli woody amber fragranceFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 betula pubescens bud oilFL/FR
(E)-cinnamophenone 
(E)-cinnamyl butyrateFL/FR
 citronellyl acetoneFL/FR
 cyclohexyl benzoateFL/FR
(S)-gamma-decalactoneFL/FR
(E,E)-digeranyl etherFL/FR
 ethyl methyl anthranilateFL/FR
4-methoxy-alpha-toluene thiol 
2-methyl butyl salicylateFL/FR
 methyl hydrocinnamateFL/FR
 neryl benzoateFL/FR
(R)-gamma-nonalactoneFL/FR
3-oxooctanoic acid glycerideFL
3-phenyl propyl propionateFL/FR
 phytyl acetateFL/FR
 pine needle absoluteFL/FR
isopropyl benzoateFL/FR
 santolina oil 
 styralyl isobutyrateFL/FR
 yuzunoneFL
alpha-butyl cinnamaldehydeFL/FR
balsamic
 benzyl benzoateFL/FR
camphoreous
 pinocarveolFL/FR
creamy
 waxy lactoneFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cinnamyl propionateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
pseudoiononeFL
 methyl dihydrojasmonateFL/FR
 methyl jasmonateFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl propionateFL/FR
 phytolFL/FR
fruity
 ethyl isovalerateFL/FR
2-pentyl butyrateFL/FR
 valerian rhizome absoluteFL/FR
green
 canarium luzonicum oilFL/FR
 galbanum absoluteFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 narcissus acetateFL/FR
3-nonanoneFL/FR
(Z)-beta-ocimeneFL/FR
honey
 phenethyl phenyl acetateFL/FR
medicinal,
 phenethyl salicylateFL/FR
oily
isophytolFL/FR
resinous
 mastic absoluteFL/FR
spicy
 benzyl cinnamateFL/FR
 cinnamyl acetateFL/FR
 cinnamyl cinnamateFL/FR
isoeugenyl acetateFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
sulfurous
 methyl benzyl disulfideFL
tea
green tea leaf absoluteFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 
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Potential Uses:
 acaciaFR
 apple blossomFR
 azaleaFR
 bergamotFR
 bergamotFL
 bois de roseFR
 boroniaFR
 bouquetFR
 carnationFR
 champacaFR
 cherry blossomFR
 chypreFR
 clematisFR
 cologneFR
 corianderFL/FR
 coronillaFR
 country meadowFR
 crabapple blossomFR
 cyclamenFR
 daisyFR
 daphneFR
 dilleniaFR
 elder flowerFR
 fagoniaFR
 fetesFR
 floralFR
 frangipani plumeriaFR
 freesiaFR
 gardeniaFR
 genetFR
 geraniumFR
 ginger white gingerFR
 greenhouseFR
 hawthornFR
 heatherFR
 heliotropeFR
 hibiscusFR
 ho leafFR
 honeysuckleFR
 hyacinthFR
 hydrangeaFR
 jasminFR
 jasminFL
 jonquilFR
 lilacFR
 lilyFR
 lily calla lilyFR
 lily ginger lilyFR
 lily of the valleyFR
 linaloe woodFL/FR
 linden flowerFR
 lotusFR
 magnoliaFR
 mango flowerFR
 meadowsweetFR
 mimosaFR
 mimosaFL
 mulberryFR
 mulberryFL
 myrtle oil replacerFR
 narcissusFR
 neroliFR
 orange blossomFR
 orange blossomFL
 orchidFR
 orrisFR
 palmarosa oil replacerFR
 pansyFR
 peach blossomFR
 pear blossomFR
 peonyFR
 petitgrainFR
 petitgrain bergamot petitgrainFL/FR
 petitgrain lemon petitgrainFL/FR
 petitgrain lime petitgrainFL/FR
 petitgrain mandarin oil replacerFL/FR
 petuniaFR
 phloxFR
 poppy red poppyFR
 potpourriFR
 rainFR
 roseFR
 roseFL
 rose absolute replacerFR
 rose d'orientFR
 rose dog roseFR
 rose geraniumFR
 rose moss roseFR
 rose red roseFR
 rose tea roseFR
 rose white roseFR
 saffronFR
 scented stockFR
 spring rainFR
 stephanotisFR
 sweet peaFR
 tuberoseFR
 tulipFR
 vegetation tropical hothouse vegetation 
 violetFR
 violetFL
 wallflowerFR
 wisteriaFR
 woody bouquetFR
 ylang ylangFR
 zdravetzFL/FR
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Occurrence (nature, food, other): note
 betel leaf oil @ 0.76%
Data  GC  Search Trop  Picture
 burdock leaf
Search Trop  Picture
 calamus leaf oil @ 0.11%
Data  GC  Search Trop  Picture
 cardamom seed
Search Trop  Picture
 champaca concrete @ 0.30%
Data  GC  Search Trop  Picture
 coriander leaf oil @ 2.79-3.46%
Data  GC  Search Trop  Picture
 crithmum maritimum l. oil turkey @ <0.10%
Data  GC  Search Trop  Picture
 flax seed
Search Trop  Picture
 guava leaf oil cuba @ trace%
Data  GC  Search Trop  Picture
 jasmin absolute concrete egypt @ 13.38%
Data  GC  Search Trop  Picture
 jasmin absolute concrete india @ 7.80-13.25%
Data  GC  Search Trop  Picture
 jasmin sambac absolute egypt @ 0.34%
Data  GC  Search Trop  Picture
 mangrove bark red oil cuba @ 2.20%
Data  GC  Search Trop  Picture
 nepeta betonicifolia c.a. meyer oil turkey @ 1.40%
Data  GC  Search Trop  Picture
 peppermint leaf
Search Trop  Picture
 petitgrain combava oil @ trace%
Data  GC  Search  Picture
 petitgrain mandarin oil @ 0.74%
Data  GC  Search Trop  Picture
 plectranthus glandulosus hook f. leaf oil cameroon @ trace%
Data  GC  Search Trop  Picture
 rue oil china @ 0.86%
Data  GC  Search Trop  Picture
 zanthoxylum bracchyacanthum l. leaf oil australia @ 1.70%
Data  GC  Search Trop  Picture
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Synonyms:
 hexadec-2-en-1-ol, 3,7,11,15-tetramethyl-
cis,trans-phytol
(7R,11R)-3,7,11,15-tetramethyl hexadec-2-en-1-ol
 tetramethyl-2-hexadecen-1-ol
(Z,E)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
cis,trans-3,7,11,15-tetramethyl-2-hexadecen-1-ol
3,7,11,15-tetramethylhexadec-2-en-1-ol
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