tetrahydrofurfuryl alcohol
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IUPAC name :oxolan-2-ylmethanol
InChI :InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey :BSYVTEYKTMYBMK-UHFFFAOYAA
SMILES :C1CC(OC1)CO
cas number :97-99-4
(EINECS) number :202-625-6
eu annex :603-061-00-7
beilstein number :0102723
fema number :3056
coe number :2029
jecfa number :1443
fl. number :13.020
molar refractivity :26.28 ± 0.3 cm3
parachor :245.8 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :39.0 ± 3.0 dyne/cm
density :1.038 ± 0.06 g/cm3
polarizability :10.41 ± 0.5 10-24cm3
XlogP : -0.10
molecular weight : 102.1317000 (IUPAC)
formula :C5 H10 O2
BioActivity Analysis :79318
NMR Predictor :Predict
 
 
IUPAC name :[(2R)-oxolan-2-yl]methanol
InChI :InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1
InChIKey :BSYVTEYKTMYBMK-RXMQYKEDBY
SMILES :C1C[C@@H](OC1)CO
cas number :97-99-4  (R)
eu annex :603-061-00-7
molar refractivity :26.28 ± 0.3 cm3
parachor :245.8 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :39.0 ± 3.0 dyne/cm
density :1.038 ± 0.06 g/cm3
polarizability :10.41 ± 0.5 10-24cm3
XlogP : -0.10
molecular weight : 102.1317000 (IUPAC)
formula :C5 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :[(2S)-oxolan-2-yl]methanol
InChI :InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
InChIKey :BSYVTEYKTMYBMK-YFKPBYRVBG
SMILES :C1C[C@H](OC1)CO
cas number :97-99-4  (S)
eu annex :603-061-00-7
molar refractivity :26.28 ± 0.3 cm3
parachor :245.8 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :39.0 ± 3.0 dyne/cm
density :1.038 ± 0.06 g/cm3
polarizability :10.41 ± 0.5 10-24cm3
XlogP : -0.10
molecular weight : 102.1317000 (IUPAC)
formula :C5 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :172.515
175.105
176.180
176.210
Suppliers :
Penta :tetrahydrofurfuryl alcohol
SAFC Global® :Tetrahydrofurfuryl alcohol
≥98%, Kosher
Odor:  vegetable
organoleptics :
odor type :vegetable
odor strength :medium
odor description:
at 100.00 %.  		vegetable cauliflower faint warm oily caramel
Luebke, William tgsc, (1987)
taste description:
coffee nut at .03-1 ppm
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05000 to 1.05200 @ 25.00 °C.
pounds per gallon - calc. : 8.737 to 8.754
refractive index :1.45200 to 1.45300 @ 20.00 °C.
melting point : -80.00 °C. @ 760.00 mm Hg
boiling point : 178.00 to 179.00 °C. @ 760.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor pressure :0.80100 mm/Hg @ 25.00 °C.
vapor density :3.52 ( Air = 1 )
flash point : 183.00  °F.  TCC  ( 83.89 °C. )
logP (o/w) : -0.11
safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with 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    4500.00  mg/kg
(Gajewski & Alsdorf, 1949)

Intraperitoneal-Rat    400.00  mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.

intravenous-Rabbit    725.00  mg/kg
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 294, 1949.

Oral-Mouse    2300.00  mg/kg
Hygiene and Sanitation Vol. 32(2), Pg. 273, 1967.

Oral-Guineapig    800.00  mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.

Intraperitoneal-Guineapig    400.00  mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.

Dermal Toxicity(LD50) : 
  Skin-Guineapig  5000.00  mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :33.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :22.00 (μg/capita/day)
 
recommendation for tetrahydrofurfuryl alcohol flavor usage levels up to :
  20.0000 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...
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
oxolan-2-ylmethanol
(EINECS) number :202-625-6
RTECS :97-99-4
chemidplus :000097994
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :97-99-4
dtp/nci :15434
 
[(2R)-oxolan-2-yl]methanol
 
[(2S)-oxolan-2-yl]methanol
references :
 
oxolan-2-ylmethanol
fl. number :13.020
jecfa number :1443
NIST Chemistry WebBook :836608660
pubchem :150424
 
[(2R)-oxolan-2-yl]methanol
pubchem :43541485
 
[(2S)-oxolan-2-yl]methanol
pubchem :587979
Cosmetics :
Cosmetic uses : masking agents
solvents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 oxolan-2-ylmethanol
 tetrahydro-2-furan carbinol
 tetrahydro-2-furan methanol
 tetrahydro-2-furyl methanol
soluble in :
 alcohol
 ethyl ether
 water, 1000000 mg/L @ 25C
potential blenders :    note
2-acetyl-3-methyl pyrazineFL/FR
isobutyl mercaptanFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 cortex pyridineFL/FR
 cyclopentyl mercaptanFL
3,5-diethyl-2-methyl pyrazineFL
 dihydroxyacetophenoneFL
 diisopropyl sulfideFL
 dimethyl disulfideFL
 dimethyl sulfideFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2-ethoxythiazoleFL
 ethyl (E)-2-hexenoateFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 ethyl pyruvateFL/FR
2-ethyl-4,5-dimethyl oxazoleFL
 furfuryl methyl sulfideFL
1-furfuryl pyrroleFL/FR
 geranium thiazoleFL/FR
 grapefruit menthaneFL/FR
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
(E)-2-hepten-1-alFL
(Z)-4-hepten-1-alFL/FR
 hexanal propylene glycol acetalFL/FR
(E)-4-hexen-1-alFL
2-hexen-1-alFL
4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl hexanoateFL/FR
 jalapeno oleoresinFL
 lychee mercaptan acetateFL/FR
 melon nonenoateFL/FR
3-mercapto-3-methyl butanolFL
3-mercaptohexyl butyrateFL
 mesityl oxideFL
 methionalFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl benzyl disulfideFL
 methyl furfuryl disulfideFL
 methyl octanoateFL/FR
2-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
3-(methyl thio) hexanolFL
 methyl thiomethyl butyrateFL
2-methyl-1,3-dithiolaneFL
3-(5-methyl-2-furyl) butanalFL
2-methyl-3-(methyl thio) pyrazineFL/FR
5-methyl-5-hexen-2-oneFL/FR
2-methyl-5-methoxythiazoleFL
2,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
2,4-octadien-1-alFL
2-octen-1-olFL/FR
1-octen-3-olFL/FR
(E)-2-octenoic acidFL
4-penten-1-yl acetateFL
1-penten-3-olFL/FR
2-pentyl furanFL/FR
 potato butanoneFL
2-propyl pyrazineFL
 propyl thioacetateFL
isopropyl tiglateFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
 propylene glycol acetone ketalFL
 radish isothiocyanateFL
3-tetrahydrothiophenoneFL
2,4,5-trimethyl thiazoleFL/FR
 tropical thiazoleFL/FR
(E,E)-2,4-undecadien-1-alFL
 vinyl sulfurolFL
 yeast thiazolineFL
potential uses :
 caramel
 castoreum
 coffee
 solvents
natural occurrence in :    note
 not found in nature  

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