10-undecenoic acid 112-38-9

10-undecenoic acid

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IUPAC name :

undec-10-enoic acid

InChI :

InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

InChIKey :

FRPZMMHWLSIFAZ-UHFFFAOYAJ

SMILES :

C=CCCCCCCCCC(=O)O

cas number :	112-38-9
(EINECS) number :	203-965-8
beilstein number :	1762631
fema number :	3247
coe number :	689
jecfa number :	331
fl. number :	08.039
molar refractivity :	54.30 ± 0.3 cm3
parachor :	480.5 ± 4.0 cm3
index of refraction :	1.455 ± 0.02
surface tension :	33.4 ± 3.0 dyne/cm
density :	0.922 ± 0.06 g/cm3
polarizability :	21.52 ± 0.5 10-24cm3
XlogP :	4.40
molecular weight :	184.2753000 (IUPAC)
formula :	C11 H20 O2
BioActivity Analysis :	68715
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Advanced Biotech :

undecylenic acid
97% min. natural
Odor: Woody

Penta :

10-undecenoic acid

SAFC Global® :

Undecenoic acid
≥95%
Odor: woody; sweet

Tokyo Chemical Industry :

10-Undecenoic acid
>98.0%(GC)(T)

Vigon :

Undecylenic Acid

organoleptics :

odor type :

woody

odor strength :

medium

odor description:
at 100.00 %.

sweet woody

properties :

appearence :

colorless white solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.91200 @ 25.00 °C.

refractive index :

1.44930 @ 20.00 °C.

melting point :

25.00 to 27.00 °C. @ 760.00 mm Hg

boiling point :

137.00 °C. @ 2.00 mm Hg

flash point :

300.00 °F. TCC ( 148.89 °C. )

logP (o/w) :

3.86

safety :

most important hazard(s) :

Xi - Irritant

R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 43 - May cause sensitisation by skin contact.
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 37/39 - Wear suitable gloves and eye/face protection.

Oral Toxicity(LD50) :

Gavage-Mouse    8150.00  mg/kg
(Newell et al., 1949)

Oral-Mouse    2300-6600  mg/kg
(Tislow et al., 1950)

Oral-Rat    2500.00  mg/kg
(Tislow et al., 1950)

Intraperitoneal-Mouse    960.00  mg/kg

Dermal Toxicity(LD50) :

Skin-Guineapig 50.00 mg/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

flavor and fragrance agents

Maximised Survey-derived Daily Intakes (MSDI-EU) :

26.00 (μg/capita/day)

recommendation for 10-undecenoic acid fragrance usage levels up to :

0.2000 % in the fragrance concentrate.

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

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 3261

WGK Germany :

undec-10-enoic acid

(EINECS) number :

203-965-8

RTECS :

YQ2975000 for cas# 112-38-9

chemidplus :

000112389

EPA Substance Registry Services :

112-38-9

dtp/nci :

2013

references :

undec-10-enoic acid

fl. number :

08.039

jecfa number :

331

NIST Chemistry WebBook :

112389

pubchem :

151310

Cosmetics :

Cosmetic uses :

preservatives

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
10-	hendecenoic acid
omega-	hendecenoic acid
	undec-10-enoic acid
	undecenoic acid
omega-	undecenoic acid
	undecylenic acid
soluble in :
	alcohol
	water, 73.7 mg/L @ 30C
insoluble in :
	water
potential uses :
	jasmin
	oriental
	woody
natural occurrence in : note
	castor oil	S

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