laevo-histidine 71-00-1

laevo-histidine

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IUPAC name :

(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid

InChI :

InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey :

HNDVDQJCIGZPNO-YFKPBYRVBM

SMILES :

C1=C(NC=N1)C[C@@H](C(=O)O)N

cas number :	71-00-1
(EINECS) number :	200-745-3
beilstein number :	0084088
fema number :	3694
coe number :	17008
jecfa number :	1431
fl. number :	17.008
molar refractivity :	38.01 ± 0.3 cm3
parachor :	325.6 ± 4.0 cm3
index of refraction :	1.614 ± 0.02
surface tension :	79.6 ± 3.0 dyne/cm
density :	1.423 ± 0.06 g/cm3
polarizability :	15.07 ± 0.5 10-24cm3
XlogP :	-3.40
molecular weight :	155.1545600 (IUPAC)
formula :	C6 H9 N3 O2
BioActivity Analysis :	48416085
NMR Predictor :	Predict

export tariff code :

2933.29.0000

fda reg :

Suppliers :

L-HISTIDINE
USP, EP

organoleptics :

odor type :

odorless

odor strength :

none

odor description:
at 100.00 %.

odorless

properties :

appearence :

white crystalline powder

Food Chemicals Codex Listed :

melting point :

282.00 to 287.00 °C. @ 760.00 mm Hg

flash point :

448.00 °F. TCC ( 231.11 °C. )

logP (o/w) :

-1.27

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.

Oral Toxicity(LD50) :

Oral-Rat    >15000.00  mg/kg

intravenous-Rat    >2000.00  mg/kg

Intraperitoneal-Rat    >8000.00  mg/kg

Oral-Mouse    >15000.00  mg/kg

intravenous-Mouse    >2000.00  mg/kg

Intraperitoneal-Mouse    >10000.00  mg/kg

Dermal Toxicity(LD50) :

Subcutaneous-Rat >10000.00 mg/kg

Subcutaneous-Mouse >10000.00 mg/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

special dietary and nutritional additives

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

9.50 (μg/capita/day)

recommendation for laevo-histidine fragrance usage levels up to :

not for fragrance use.

recommendation for laevo-histidine flavor usage levels up to :

not for flavor 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

ClinicalTrials.gov :

Daily Med :

NLM Hazardous Substances Data Bank :

AIDS Citations :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid

(EINECS) number :

200-745-3

RTECS :

MS3070000 for cas# 71-00-1

chemidplus :

000071001

EPA Substance Registry Services :

71-00-1

dtp/nci :

137773

references :

(2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid

fl. number :

17.008

jecfa number :

1431

NIST Chemistry WebBook :

71001

pubchem :

149204

Cosmetics :

Cosmetic uses :

antistatic agents
humectants
skin conditioning

other :

CosIng :

cosmetic data

Dietary Supplements Labels Database :

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

View

synonyms :
(S)-alpha-	amino-1H-imidazole-4-propanoic acid
(S)-4-(2-	amino-2-carboxyethyl) imidazole
(2S)-2-	amino-3-(3H-imidazol-4-yl)propanoic acid
(S)-2-	amino-3-(4-imidazolyl) propionsaeure
2-	amino-3,4-imidazyl propionic acid
alpha-	amino-4-imidazole propionic acid
alpha-	amino-4(or 5)-imidazole propionic acid
	glyoxaline-5-alanine
laevo-beta-(4-	imidazolyl)-alpha-alanin
soluble in :
	water, 45600 mg/L @ 25C
potential uses :
	antistatic agents
	humectants
	skin conditioning
natural occurrence in : note
	not found in nature

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