oleic acid
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IUPAC name :(Z)-octadec-9-enoic acid
InChI :InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey :ZQPPMHVWECSIRJ-KTKRTIGZBB
SMILES :CCCCCCCC\C=C/CCCCCCCC(=O)O
cas number :112-80-1
(EINECS) number :204-007-1
beilstein number :1726542
fema number :2815
coe number :13
jecfa number :333
fl. number :08.013
molar refractivity :87.06 ± 0.3 cm3
parachor :757.2 ± 4.0 cm3
index of refraction :1.466 ± 0.02
surface tension :33.8 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :34.51 ± 0.5 10-24cm3
XlogP : 6.50
molecular weight : 282.4613600 (IUPAC)
formula :C18 H34 O2
BioActivity Analysis :75221
NMR Predictor :Predict
 
 
export tariff code :2916.15.1000
fda reg :172.210
172.860
173.315
175.105
176.180
177.1200
177.2600
182.70
182.90

Suppliers :
Advanced Biotech :oleic acid
90% min. natural
Odor:  Faintly, Fatty
Apple :Oleic Acid
Fleurchem :oleic acid
natural
Mooreganics :Oleic Acid
Natural (Organic Compliant)
Penta :oleic acid
65%-no bha/bht added
Penta :oleic acid
Penta :oleic acid
natural & kosher
Penta :oleic acid
N.F.
Sigma-Aldrich-SAFC :Oleic acid
FCC, Kosher, FG
Odor:  fatty
Vigon :Oleic Acid
Natural

organoleptics :
odor type :fatty
odor strength :low
odor description :
at 100.00 %.  
faint fatty waxy lard fried

properties :
appearence :colorless to pale yellow liquid
Food Chemicals Codex Listed :Yes
specific gravity :0.88200 to 0.89100 @ 25.00 °C.
pounds per gallon - calc. : 7.339 to 7.414
refractive index :1.45950 to 1.46400 @ 20.00 °C.
melting point : 13.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 194.00 to 195.00 °C. @ 1.20 mm Hg
vapor pressure :1.00000 mm/Hg @ 176.00 °C.
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 7.73

safety :
most important hazard(s) :Xi - Irritant
  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    25000.00  mg/kg
Toksikologicheskii Vestnik. Vol. (1), Pg. 39, 2000.

Oral-Rat    >5000.00  mg/kg
(Moreno, 1977b)

Oral-Rat    >19000.00  mg/kg
(Briggs et al., 1976)

Intraperitoneal-Mouse    282.00  mg/kg

Oral-Mouse    28.00  gm/kg

intravenous-Mouse    230  mg/kg

intravenous-Rabbit    >55.00  mg/kg

intravenous-Rat    2.40  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :830.00 (μg/capita/day)
 
recommendation for oleic acid usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for oleic acid 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
ClinicalTrials.gov :search
Daily Med :search
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 (Z)-octadec-9-enoic acid
(EINECS) number :204-007-1
RTECS :112-80-1
chemidplus :000112801
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :112-80-1
dtp/nci :4789

references :
 (Z)-octadec-9-enoic acid
fl. number :08.013
jecfa number :333
pubchem :151343

Cosmetics :
Cosmetic uses : emollients
emulsifying agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
(E)-elaidic acid
trans-elaidic acid
 emersol 205
 extraolein 90
 groco 2
 hy-phi 2088
 industrene 105
 industrene 205
 industrene 206
 metaupon
(Z)-octadec-9-enoic acid
(Z)-9-octadecenoic acid
cis-9-octadecenoic acid
 oelsauere
delta9-cis-oleic acid
 oleinic acid
 pamolyn 100
 tego-oleic 130
 vopcolene 27
 wecoline OO
 wochem no. 320

soluble in :
 paraffin oil
 water, 0.012 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl cyclohexyl propionate
 allyl octanoate
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
isoamyl laurate
6-amyl-alpha-pyrone
 benzyl laurate
 butyl laurate
 dairy lactone
2,4-decadien-1-ol
 decanal / methyl anthranilate schiff's base
(E)-2-decen-1-al
(E)-2-decen-1-ol
(Z)-5-decen-1-ol
(E)-2-decen-1-yl acetate
 dodecanal
 dodecanol
 ethyl (E)-2-octenoate
 ethyl hexanoate
 ethyl undecanoate
 ethyl undecylenate
 hexyl butyrate
 jasmin absolute pommade
 melon valerate
 methyl 10-undecenal
 methyl laurate
 methyl myristate
4-methyl octanoic acid
 methyl undecanoate
 myristic acid
2,4-nonadien-1-ol
(Z)-2-nonen-1-al
(E)-2-octenoic acid
 octyl isobutyrate
 palmitic acid
 tetradecanal
 undecanal

(odor and/or flavor) used in :
 cheese blue cheese
 cheese cheddar cheese
 cheese swiss cheese
 emollients
 emulsifying agents
 nut peanut
 nut peanut butter
 orris iris

natural occurrence in :
beef cooked beef
cheese bleu cheese
cheese cheddar cheese
cheese swiss cheese
data pagecistus oil @ 1.2%
data pagegenet absolute @ 6.00%
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.50%
data pageketaki flower oil india @ trace%
orris root
peanut roasted peanut
rue seed oil
data pagestar fruit oil cuba @ trace%
data pagethyme oil spain @ 0.60%



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