EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

bromocinnamal
2-propenal, 2-bromo-3-phenyl-, (Z)-

Supplier Sponsors

Name:(Z)-2-bromo-3-phenylprop-2-enal
CAS Number: 5443-49-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-637-6
FDA UNII: Search
Nikkaji Web:J60.277I
Beilstein Number:1099733
MDL:MFCD00006965
XlogP3-AA:2.70 (est)
Molecular Weight:211.05799000
Formula:C9 H7 Br O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 304.44 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.20 °C. ) (est)
logP (o/w): 2.491 (est)
Soluble in:
 water, 496 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: fragrance
 
Suppliers:
BOC Sciences
For experimental / research use only.
a-Bromocinnamaldehyde >98.0%(T)
Carbosynth
For experimental / research use only.
2-Bromocinnamaldehyde
Santa Cruz Biotechnology
For experimental / research use only.
a-Bromocinnamaldehyde>98.0%(gc)
Sigma-Aldrich: Aldrich
For experimental / research use only.
a-Bromocinnamaldehyde 98%
sds
TCI AMERICA
For experimental / research use only.
a-Bromocinnamaldehyde>98.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 822 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 919, 1969.

oral-mouse LD50 470 mg/kg
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: ATAXIA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

intraperitoneal-rat LD50 513 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 919, 1969.

oral-rat LD50 1450 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 919, 1969.

Dermal Toxicity:
subcutaneous-mouse LD50 2200 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 919, 1969.

subcutaneous-rat LD50 1210 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 919, 1969.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
cosmetic agents
Recommendation for bromocinnamal usage levels up to:
 not for fragrance use.
 
Recommendation for bromocinnamal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5369403
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(Z)-2-bromo-3-phenylprop-2-enal
Chemidplus:0005443492
RTECS:GD6480000 for cas# 5443-49-2
 
References:
 (Z)-2-bromo-3-phenylprop-2-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5369403
Pubchem (sid):134985610
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2913.00.4000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 additives
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 alphabrocine
(2Z)-2-bromo-3-phenyl-2-propenal
(Z)-2-bromo-3-phenyl-2-propenal
2-bromo-3-phenyl-2-propenal
(2Z)-2-bromo-3-phenylacrylaldehyde
(Z)-2-bromo-3-phenylacrylaldehyde
2-bromo-3-phenylacrylaldehyde
(2Z)-2-bromo-3-phenylprop-2-enal
(Z)-2-bromo-3-phenylprop-2-enal
a-bromocinnamaldehyde
alpha-bromocinnamaldehyde
a-bromocinnamic aldehyde
 cinnamaldehyde, a-bromo-
2-propenal, 2-bromo-3-phenyl- (9CI)
2-propenal, 2-bromo-3-phenyl-, (2Z)-
2-propenal, 2-bromo-3-phenyl-, (Z)-
 

Articles:

PubMed:Masuda borylation-Suzuki coupling (MBSC) sequence of vinylhalides and its application in a one-pot synthesis of 3,4-biarylpyrazoles.
PubMed:The comparison of α-bromo-4-chlorocinnamaldehyde and cinnamaldehyde on coxsackie virus B3-induced myocarditis and their mechanisms.
PubMed:Synthesis, pharmacological activity and structure affinity relationships of spirocyclic σ(1) receptor ligands with a (2-fluoroethyl) residue in 3-position.
PubMed:Inhibition of chitin synthases and antifungal activities by 2'-benzoyloxycinnamaldehyde from Pleuropterus ciliinervis and its derivatives.
PubMed:Guanidinium ylide mediated aziridination: identification of a spiro imidazolidine-oxazolidine intermediate.
PubMed:Genotoxicity of 2-halocinnamaldehydes in two bacterial assays. Induction of SOS repair and frame-shift mutation.
PubMed:[Combined long-term toxicity/carcinogenicity test of alpha-bromocinnamic aldehyde (BCA) applied to female mouse skin].
PubMed:[Alpha-bromocinnamaldehyde, its mutagenicity and contents in commercial products].
 
Notes:
anti-mildew agent.
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