2,3-xylenol 526-75-0

2,3-xylenol

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IUPAC name :

2,3-dimethylphenol

InChI :

InChI=1/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

InChIKey :

QWBBPBRQALCEIZ-UHFFFAOYAU

SMILES :

CC1=C(C(=CC=C1)O)C

cas number :	526-75-0
(EINECS) number :	208-395-3
eu annex :	604-006-00-X
beilstein number :	1906267
coe number :	11258
fl. number :	04.065
molar refractivity :	37.78 ± 0.3 cm3
parachor :	297.5 ± 4.0 cm3
index of refraction :	1.540 ± 0.02
surface tension :	37.2 ± 3.0 dyne/cm
density :	1.014 ± 0.06 g/cm3
polarizability :	14.97 ± 0.5 10-24cm3
XlogP :	2.30
molecular weight :	122.1644000
formula :	C8 H10 O
BioActivity Analysis :	17389407
NMR Predictor :	Predict

export tariff code :

2907.14.0000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

2,3-Dimethylphenol
99%

organoleptics :

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

phenolic chemical musty

properties :

appearence :

colorless solid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

72.00 to 76.00 °C. @ 760.00 mm Hg

boiling point :

216.00 to 218.00 °C. @ 760.00 mm Hg

vapor density :

4.23 ( Air = 1 )

flash point :

195.00 °F. TCC ( 90.56 °C. )

logP (o/w) :

2.48

safety :

most important hazard(s) :

T N - Toxic, Dangerous for the environment.

R 24/25 - Toxic in contact with skin and if swallowed.
R 34 - Causes burns.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Oral Toxicity(LD50) :

intravenous-Mouse 56.00 mg/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.013 (μg/capita/day)

recommendation for 2,3-xylenol 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

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

EPA GENetic TOXicology :

Env. Mutagen Info. Center :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 2261

WGK Germany :

2,3-dimethylphenol

(EINECS) number :

208-395-3

RTECS :

ZE5500000 for 526-75-0

chemidplus :

000526750

EPA/NOAA CAMEO :

hazardous materials

EPA Substance Registry Services :

526-75-0

dtp/nci :

62011

references :

2,3-dimethylphenol

fl. number :

04.065

NIST Chemistry WebBook :

3800728516

pubchem :

153988

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2,3-	dimethyl phenol
2,3-	dimethylphenol
1-	hydroxy-2,3-dimethyl benzene
soluble in :
	alcohol
	water, 4570 mg/L @ 25C
insoluble in :
	water
natural occurrence in :
	beer
	coffee

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