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693-33-4

693-33-4 structure
693-33-4 structure
  • Name: Hexadecylbetaine
  • Chemical Name: 2-[hexadecyl(dimethyl)azaniumyl]acetate
  • CAS Number: 693-33-4
  • Molecular Formula: C21H45NO3
  • Molecular Weight: 359.58700
  • Create Date: 2019-02-21 00:07:38
  • Modify Date: 2024-01-03 00:19:54

Name 2-[hexadecyl(dimethyl)azaniumyl]acetate
Synonyms cetyl betaine
Lonzaine 16S
N-hexadecyl-betaine
C16BET
N,N-Dimethyl-N-hexadecylglycine
Palmityldimethylbetaine
N-n-hexadecyl-N,N-dimethyl-glycin
Carboxymethyl-hexadecyl-dimethyl-ammonium-betain
carboxymethyl-hexadecyl-dimethyl-ammonium betaine
Hexadecylbetaine
EINECS 211-748-4
Density 0.9732
Boiling Point 465.41°C
Molecular Formula C21H45NO3
Molecular Weight 359.58700
Exact Mass 359.34000
PSA 49.36000
LogP 5.54030
Index of Refraction 1.5614

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ML9110000
CHEMICAL NAME :
1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt
CAS REGISTRY NUMBER :
693-33-4
BEILSTEIN REFERENCE NO. :
3676787
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C20-H41-N-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1620 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>16 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Skin and Appendages - dermatitis, other (after systemic exposure) Skin and Appendages - hair
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 16,41,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2947 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 162 (estimated)

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693-33-4 structure

693-33-4

Literature: Tanaka; Kato Yakugaku Zasshi, 1943 , vol. 63, p. 593 Chem.Abstr., 1951 , p. 5100

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693-33-4 structure

693-33-4

Literature: Swain et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1087,1088

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693-33-4 structure

693-33-4

Literature: Beckett,A.H.; Woodward,R.J. Journal of Pharmacy and Pharmacology, 1963 , vol. 15, p. 422 - 431

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693-33-4 structure

693-33-4

Literature: Al-Lohedan, Hamad; Bunton, Clifford A.; Romsted, Laurence S. Journal of Physical Chemistry, 1981 , vol. 85, # 13 p. 2123 - 2129