ortho-guaiacol
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IUPAC name :2-methoxyphenol
InChI :InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey :LHGVFZTZFXWLCP-UHFFFAOYAI
SMILES :COC1=CC=CC=C1O
cas number :90-05-1
(EINECS) number :201-964-7
eu annex :604-031-00-6
beilstein number :0508112
fema number :2532
coe number :173
jecfa number :713
fl. number :04.005
molar refractivity :34.81 ± 0.3 cm3
parachor :278.9 ± 4.0 cm3
index of refraction :1.534 ± 0.02
surface tension :38.6 ± 3.0 dyne/cm
density :1.109 ± 0.06 g/cm3
polarizability :13.80 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 124.1372200 (IUPAC)
formula :C7 H8 O2
BioActivity Analysis :17388828
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2909.50.0000
fda reg :172.515
Suppliers :
Advanced Biotech :guaiacol
98% min. natural
Odor:  Burnt, Smoky
Berje :Guaiacol Pure
Fleurchem :guaiacol
natural
Fleurchem :guaiacol
Mooreganics :Guaiacol
Natural (Organic Compliant)
Odor:  BURNT, SMOKY, MEDICINAL, WOODY, VANILLA BEAN
Penta :guaiacol
Robertet :Guaiacol
naturel
SAFC Global® :Guaiacol
≥98%, FG, Kosher
Odor:  medicinal; smoky; woody
Vigon :Guaiacol
98%
Odor:  PHENOL-LIKE
organoleptics :
odor type :phenolic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		phenolic smoke spice vanilla woody
Luebke, William tgsc, (1996)
odor sample from :Sigma-Aldrich Inc.
odor description:
Phenolic, smoky, spicy, medicinal, vanilla and savory meaty with a woody nuance
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
taste description:
at 2.00 ppm.  		Woody, phenolic, bacon, savory, smoky and medicinal
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
substantivity :278 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear oily liquid to solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12300 to 1.13000 @ 25.00 °C.
pounds per gallon - calc. : 9.344 to 9.403
refractive index :1.53300 to 1.54400 @ 20.00 °C.
melting point : 28.00 to 32.00 °C. @ 760.00 mm Hg
boiling point : 205.00 to 206.00 °C. @ 760.00 mm Hg
boiling point : 119.00 to 120.00 °C. @ 40.00 mm Hg
vapor pressure :0.10300 mm/Hg @ 25.00 °C.
vapor density :4.27 ( Air = 1 )
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 1.32
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
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.
Oral Toxicity(LD50) : 
  Oral-Rat    520.00  mg/kg
32,309,1991

Oral-Mouse    621.00  mg/kg

intravenous-Mouse    170.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  4600.00  mg/kg
FCTOD7  20,697,1982

Inhalation Toxicity(LC50) : 
  Inhalation-Mouse  7570.00  mg/m3
  
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :44.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :16.00 (μg/capita/day)
 
recommendation for ortho-guaiacol fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for ortho-guaiacol flavor usage levels up to :
  2.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
2-methoxyphenol
(EINECS) number :201-964-7
RTECS :SL7525000 for cas# 90-05-1
chemidplus :000090051
EPA Substance Registry Services :90-05-1
dtp/nci :3815
references :
 
2-methoxyphenol
fl. number :04.005
jecfa number :713
NIST Chemistry WebBook :198950809
pubchem :150018
Flavornet :90-05-1
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 anastil
 guaiacol
 guajacol
 guajol
 guasol
1-hydroxy-2-methoxybenzene
2-hydroxyanisole
ortho-hydroxyanisole
1-oxy-2-methoxybenzene
2-methoxyphenol
ortho-methoxyphenol
 methyl catechol
ortho-methyl catechol
 pyrocatechol methyl ester
 pyrocatechol monomethyl ether
soluble in :
 alcohol
 water, 18700 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 allspice oilFL/FR
4-allyl-2,6-dimethoxyphenolFL
 ambroxanFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl disulfideFL
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 betel leaf oilCS
 birch tar oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 cade oilFR
 cassia bark oilFL/FR
 castoreum absoluteFL/FR
 cedarwood oils 
 chipotle chili oleoresinFL
 cistus oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 costus valerolactoneFR
 coumarinFR
para-cresyl caprylateFL/FR
 cubeb oilFL/FR
 dihydroanetholFL/FR
2,6-dimethoxyphenolFL/FR
2,4-dimethyl benzaldehydeFL/FR
2,3-dimethyl benzofuranFL
 dimethyl hydroquinoneFL/FR
para-alpha-dimethyl styreneFL/FR
3,7-dimethyl-6-octenoic acidFL
 dodecanalFL/FR
alpha-ethoxy-ortho-cresolFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl cinnamateFL/FR
4-ethyl guaiacolFL/FR
 ethyl laurateFL/FR
para-ethyl phenolFL
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 frankincense oilFL/FR
 furfuryl mercaptanFL/FR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
gamma-heptalactoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 immortelle absoluteFL/FR
 labdanum resinoidFR
 maltolFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl cyclopentenoloneFL/FR
 methyl isoeugenolFL/FR
 methyl phenyl acetateFL/FR
1-methyl pyrroleFL
 methyl vanillateFL/FR
2-methyl-1,3-dithiolaneFL
4-methyl-2,6-dimethoxyphenolFL/FR
 musks 
gamma-nonalactoneFL/FR
 oakmoss absoluteFL/FR
gamma-octalactoneFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 pepper tree berry oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 phoebe oil brazil 
 prenyl mercaptanFL
 propyl 4-hydroxybenzoateFL/FR
2-propyl phenolFL/FR
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
 santallFR
 thioguaiacolFL
 tobacco dodecaneFR
 tonka bean absoluteFR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 vanillyl ethyl etherFL/FR
 verymossFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
2,5-xylenolFL/FR
dextro-xyloseFL
 zingeroneFL/FR
potential uses :
 acorn
 allspice
 amber
 animal
 arnica
 azalea
 bacon
 beech wood tar
 beeswax cire d'abeille
 birch tar
 bread baked bread
 broom genet genista
 cabreuva
 cade
 cappuccino
 cassia
 cassia blossom
 castoreum
 celery
 chocolate cocoa
 cigar box
 cistus
 coconut
 coffee
 deertongue
 fagonia
 fenugreek
 fern fougere
 flouve
 flouve blossom
 gingerbread
 graham cracker
 grain
 grass sweet grass
 guaiacwood
 hay new mown hay foin coupe
 heliotrope
 herbal
 incense
 labdanum
 leaf autumn leaf
 leather
 lilac lilas syringa
 meat smoked meat
 moss
 nut
 nut filbert
 nut peanut
 nut sesame
 passion fruit
 petunia
 pine tar
 popcorn
 powder
 pumpkin
 rose white rose
 salmon smoked salmon
 smoke
 spice
 spicewood
 straw
 tobacco tabac tabaco
 tonka
 vanilla
 weedy
 woodruff asperula
 woody
natural occurrence in :    note
 beer  
data pageboronia absolute @ 0.02% S
 butter  
 celery seed S
 cinnamon  
 cloudberry  
 cocoa S
 coffee roasted coffee  
 filbert roasted filbert  
 guaiacwood S
data pageketaki flower oil india @ 0.30% S
 milk  
 passion fruit S
 peanut roasted peanut  
 popcorn  
PbMdrice black rice cooked  
PbMdrice cooked rice  
PbMdrice cooked rice  
 rue plant S
 rum  
 sesame seed roasted S
 soya bean S
 tea  
 tobacco leaf S
 tomato  
 whiskey  
 wine  
data pageylang ylang oil @ 0.17% S


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