2,4-dihydroxybenzoic acid 89-86-1

2,4-dihydroxybenzoic acid

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IUPAC name :

2,4-dihydroxybenzoic acid

InChI :

InChI=1/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)

InChIKey :

UIAFKZKHHVMJGS-UHFFFAOYAR

SMILES :

C1=CC(=C(C=C1O)O)C(=O)O

cas number :	89-86-1
(EINECS) number :	201-946-9
beilstein number :	1946213
fema number :	3798
jecfa number :	908
fl. number :	08.076
molar refractivity :	36.94 ± 0.3 cm3
parachor :	299.4 ± 4.0 cm3
index of refraction :	1.670 ± 0.02
surface tension :	84.2 ± 3.0 dyne/cm
density :	1.559 ± 0.06 g/cm3
polarizability :	14.64 ± 0.5 10-24cm3
XlogP :	2.00
molecular weight :	154.1201400
formula :	C7 H6 O4
BioActivity Analysis :	70980
NMR Predictor :	Predict

export tariff code :

2915.13.0000

fda reg :

unspecified

Suppliers :

Penta :

2,4-dihydroxybenzoic acid

Sigma-Aldrich-SAFC :

2,4-Dihydroxybenzoic acid
≥97%, Kosher

organoleptics :

odor type :

phenolic

odor strength :

low

odor description :
at 100.00 %.

phenolic

properties :

appearence :

white crystalline powder

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

225.00 to 227.00 °C. @ 760.00 mm Hg

flash point :

425.00 °F. TCC ( 218.33 °C. )

logP (o/w) :

1.63

safety :

most important hazard(s) :

Xi - Irritant

R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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) :

Intraperitoneal-Mouse >800.00 mg/kg
(Grady et al., 1976)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

ND (μg/capita/day)

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

6.00 (μg/capita/day)

recommendation for 2,4-dihydroxybenzoic acid usage levels up to :

not for fragrance use.

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

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2,4-dihydroxybenzoic acid

(EINECS) number :

201-946-9

RTECS :

VH3708050 for 89-86-1

chemidplus :

000089861

EPA Substance Registry Services :

89-86-1

dtp/nci :

4740

references :

2,4-dihydroxybenzoic acid

fl. number :

08.076

jecfa number :

908

NIST Chemistry WebBook :

3282258011

pubchem :

150006

other :

synonyms :
4-	carboxyresorcinol
4-	hydroxysalicylic acid
para-	hydroxysalicylic acid
beta-	resorcinolic acid
beta-	resorcylic acid
soluble in :
	alcohol
	water, 5780 mg/L @ 25C
insoluble in :
	water
natural occurrence in :
	not found in nature

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