trimethyl isopropyl butanamide 51115-67-4

trimethyl isopropyl butanamide

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IUPAC name :

N,2,3-trimethyl-2-propan-2-ylbutanamide

InChI :

InChI=1/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)

InChIKey :

RWAXQWRDVUOOGG-UHFFFAOYAW

SMILES :

CC(C)C(C)(C(C)C)C(=O)NC

cas number :	51115-67-4
(EINECS) number :	256-974-4
fema number :	3804
coe number :	10459
jecfa number :	1595
fl. number :	16.053
molar refractivity :	51.88 ± 0.3 cm3
parachor :	452.8 ± 4.0 cm3
index of refraction :	1.431 ± 0.02
surface tension :	26.1 ± 3.0 dyne/cm
density :	0.854 ± 0.06 g/cm3
polarizability :	20.56 ± 0.5 10-24cm3
XlogP :	2.60
molecular weight :	171.2798400
formula :	C10 H21 N O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Advanced Biotech :

koolada-23
99% min. synthetic
Odor: Minty

Apple :

Cooling agent 23

Fontarome :

WS-23
Odor: Medicinal, menthol

Penta :

2-isopropyl-N,2,3-trimethyl butyramide

organoleptics :

odor type :

minty

odor strength :

low

odor description :
at 100.00 %.

cooling minty

properties :

appearence :

white crystals

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

61.00 to 64.00 °C. @ 760.00 mm Hg

boiling point :

233.00 to 234.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

vapor pressure :

0.05700 mm/Hg @ 25.00 °C.

vapor density :

>1 ( Air = 1 )

flash point :

269.00 °F. TCC ( 131.67 °C. )

logP (o/w) :

2.48

safety :

most important hazard(s) :

Xi - Irritant

R 36 - Irritating to 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) :

Not determined

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) :

1054.00 (μg/capita/day)

Threshold of concern :

90 (μg/person/day)

recommendation for trimethyl isopropyl butanamide 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

WGK Germany :

N,2,3-trimethyl-2-propan-2-ylbutanamide

(EINECS) number :

256-974-4

chemidplus :

051115674

EPA Substance Registry Services :

51115-67-4

references :

N,2,3-trimethyl-2-propan-2-ylbutanamide

fl. number :

16.053

jecfa number :

1595

pubchem :

207274

Cosmetics :

Cosmetic uses :

masking agents

other :

CosIng :

cosmetic data

synonyms :
	framidice 3
	koolada-23
	methyl diisopropyl propionamide
2-iso	propyl- N,2,3-trimethylbutanamide
2-iso	propyl-N,2,3-trimethyl butyramide
N,2,3-	trimethyl-2-(1-methyl ethyl) butanamide
N,2,3-	trimethyl-2-isopropyl butanamide
N,2,3-	trimethyl-2-propan-2-ylbutanamide
	WS-23
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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