4-methyl salicylaldehyde 698-27-1

4-methyl salicylaldehyde

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IUPAC name :

2-hydroxy-4-methylbenzaldehyde

InChI :

InChI=1/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3

InChIKey :

JODRRPJMQDFCBJ-UHFFFAOYAN

SMILES :

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

cas number :	698-27-1
(EINECS) number :	211-813-7
fema number :	3697
coe number :	2130
jecfa number :	898
fl. number :	05.091
molar refractivity :	39.71 ± 0.3 cm3
parachor :	304.9 ± 4.0 cm3
index of refraction :	1.601 ± 0.02
surface tension :	48.1 ± 3.0 dyne/cm
density :	1.175 ± 0.06 g/cm3
polarizability :	15.74 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	136.1479200
formula :	C8 H8 O2
NMR Predictor :	Predict

export tariff code :

2918.23.0000

fda reg :

unspecified

Suppliers :

Penta :

2-hydroxy-4-methylbenzaldehyde

Sigma-Aldrich-SAFC :

2-Hydroxy-4-methylbenzaldehyde
≥98%, Kosher

organoleptics :

odor type :

fruity

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

bitter almond phenolic

properties :

appearence :

colorless to pale yellow crystalline powder

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

58.00 to 61.00 °C. @ 760.00 mm Hg

boiling point :

760.00 to 223.00 °C. @ 760.00 mm Hg

flash point :

190.00 °F. TCC ( 87.78 °C. )

logP (o/w) :

2.07

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 37/39 - Wear suitable gloves and eye/face protection.

Oral Toxicity(LD50) :

Gavage-Rat [sex: M,F] 1520.00 mg/kg
(Mondino, 1982)

Oral-Rat [sex: M,F] 1520.00 mg/kg
(Peano & Berruto, 1982)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.61 (μg/capita/day)

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

0.30 (μg/capita/day)

recommendation for 4-methyl salicylaldehyde 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

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-hydroxy-4-methylbenzaldehyde

(EINECS) number :

211-813-7

chemidplus :

000698271

EPA Substance Registry Services :

698-27-1

references :

2-hydroxy-4-methylbenzaldehyde

fl. number :

05.091

jecfa number :

898

pubchem :

197461

other :

synonyms :
2,4-	cresotaldehyde
2-	formyl-5-methyl phenol
2-	hydroxy-4-methyl benzaldehyde
2-	hydroxy-4-methylbenzaldehyde
4-	methyl salicylic aldehyde
4-	methyl-2-hydroxybenzaldehyde
meta-homo	salicylaldehyde
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
(odor and/or flavor) blends with :
	acetophenone
2-	acetyl furan
	allyl 2-ethyl butyrate
	allyl benzoate
	allyl isovalerate
	almond oil bitter
iso	amyl 2-methyl butyrate
	amyl butyrate
ortho-	anisaldehyde
	anisole
para-	anisyl acetate
para-	anisyl propionate
	benzaldehyde
	benzaldehyde / methyl anthranilate schiff's base
	benzaldehyde dimethyl acetal
	benzaldehyde glycrol acetal
2-	benzofuran carboxaldehyde
	benzoin absolute sumatra
	benzyl alcohol
	benzyl cinnamate
	betel leaf oil
	bread thiophene
	butyrophenone
dextro-	camphor
	chavicol
	cherry laurel oil
	cherry notes
	cherry oxyacetate
	cherry pentenoate
	cherry propanol
	chocolate pyrazine A
	cinnamyl isovalerate
	cocoa pyrazine
	cyclohexyl cinnamate
	cyclohexyl formate
	dibenzyl ketone
2,4-	dihydroxybenzoic acid
2,6-	dimethoxy-4-vinyl phenol
1,2-	dimethoxybenzene
	dimethyl anthranilate
2,4-	dimethyl benzaldehyde
2,3-	dimethyl benzofuran
para-alpha-	dimethyl styrene
2,6-	dimethyl thiophenol
	diphenyl oxide
2-	ethoxythiazole
	ethyl 2-phenyl-3-furoate
4-	ethyl benzaldehyde
	ethyl benzoyl acetate
4-	ethyl guaiacol
	ethyl methyl-para-tolyl glycidate
para-	ethyl phenol
5-	ethyl-2-thiophene carboxaldehyde
2-	ethyl-3,5(6)-dimethyl pyrazine mixture
	furfural
	geranyl crotonate
	guaiacol
	guaiacyl acetate
	heptyl isobutyrate
2,4-	hexadien-1-ol
3,4-	hexane dione
2-	hexen-1-al
2'-	hydroxyacetophenone
4-	hydroxybenzoic acid
	mate absolute
2-	methoxy-3-methyl pyrazine
2'-	methoxyacetophenone
(E)-para-	methoxycinnamaldehyde
para-	methoxycinnamaldehyde
	methyl (E)-cinnamate
	methyl benzoate
	methyl cinnamate
3-	methyl crotonic acid
	methyl furfuracrylate
4-	methyl guaiacol
	methyl phenyl acetate
3-	methyl-2-buten-1-al
4-	methyl-2,6-dimethoxyphenol
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3,(5 or 6)-ethoxypyrazine
	nutty cyclohexenone
3-	penten-2-one
laevo-	perillaldehyde
	phenyl acetaldehyde diethyl acetal
	phenyl acetaldehyde diisobutyl acetal
	phenyl pyruvic acid
	piperitenone
	powdery ketone
2-	propyl phenol
4-	propyl phenol
	pyroligneous acids
	raspberry ketone methyl ether
	sea resorcylate
	seaweed absolute
	thioguaiacol
beta-	thujaplicin
	tolualdehyde glyceryl acetal
	tolualdehydes (mixed o/m/p)
meta-	tolyl aldehyde
para-	tolyl aldehyde
	vanillyl alcohol
	vanillyl ethyl ether
	verymoss
4-	vinyl phenol
2,3-	xylenol
2,5-	xylenol
2,6-	xylenol
	zingerone
(odor and/or flavor) used in :
	almond
	fruit
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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