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
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
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
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
Sigma-Aldrich-SAFC :Tetrahydrofurfuryl alcohol
≥98%, Kosher
Odor:  vegetable
organoleptics :
odor type :vegetable
odor strength :medium
odor description :¹
at 100.00 %.  		vegetable cauliflower faint warm oily caramel
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 :
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 usage levels up to :
 not for fragrance use.
recommendation for tetrahydrofurfuryl alcohol 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 :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
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
(odor and/or flavor) blends with :
2-acetyl-3-methyl pyrazine
isobutyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 cortex pyridine
 cyclopentyl mercaptan
3,5-diethyl-2-methyl pyrazine
 dihydroxyacetophenone
 diisopropyl sulfide
 dimethyl disulfide
 dimethyl sulfide
4,5-dimethyl-2-ethyl-3-thiazoline
2-ethoxythiazole
 ethyl (E)-2-hexenoate
 ethyl 3-(furfuryl thio) propionate
 ethyl pyruvate
2-ethyl-4,5-dimethyl oxazole
 furfuryl methyl sulfide
1-furfuryl pyrrole
 geranium thiazole
 grapefruit menthane
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-al
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
 hexanal propylene glycol acetal
(E)-4-hexen-1-al
2-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
(Z)-3-hexen-1-yl tiglate
 hexyl hexanoate
 jalapeno oleoresin
 lychee mercaptan acetate
 melon nonenoate
3-mercapto-3-methyl butanol
3-mercaptohexyl butyrate
 mesityl oxide
 methional
 methyl 2-methyl-3-furyl disulfide
 methyl 3-(methyl thio) propionate
 methyl benzyl disulfide
 methyl furfuryl disulfide
 methyl octanoate
2-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
3-(methyl thio) hexanol
 methyl thiomethyl butyrate
2-methyl-1,3-dithiolane
3-(5-methyl-2-furyl) butanal
2-methyl-3-(methyl thio) pyrazine
5-methyl-5-hexen-2-one
2-methyl-5-methoxythiazole
2,6-nonadien-1-ol
(Z)-6-nonen-1-ol
2,4-octadien-1-al
2-octen-1-ol
1-octen-3-ol
(E)-2-octenoic acid
4-penten-1-yl acetate
1-penten-3-ol
2-pentyl furan
 potato butanone
2-propyl pyrazine
 propyl thioacetate
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 radish isothiocyanate
3-tetrahydrothiophenone
2,4,5-trimethyl thiazole
 tropical thiazole
(E,E)-2,4-undecadien-1-al
 vinyl sulfurol
 yeast thiazoline
(odor and/or flavor) used in :
 caramel
 castoreum
 coffee
 solvents
natural occurrence in :
not found in nature



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