5-Chlorcarvacrol

Modify Date: 2024-04-02 19:30:23

5-Chlorcarvacrol Structure
5-Chlorcarvacrol structure
Common Name 5-Chlorcarvacrol
CAS Number 5665-94-1 Molecular Weight 184.66300
Density 1.111g/cm3 Boiling Point 270.5ºC at 760 mmHg
Molecular Formula C10H13ClO Melting Point N/A
MSDS N/A Flash Point 117.4ºC

 Names

Name 4-chloro-2-methyl-5-propan-2-ylphenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.111g/cm3
Boiling Point 270.5ºC at 760 mmHg
Molecular Formula C10H13ClO
Molecular Weight 184.66300
Flash Point 117.4ºC
Exact Mass 184.06500
PSA 20.23000
LogP 3.47740
Index of Refraction 1.538

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FI1400000
CHEMICAL NAME :
Carvacrol, 5-chloro-
CAS REGISTRY NUMBER :
5665-94-1
BEILSTEIN REFERENCE NO. :
3239606
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H13-Cl-O
MOLECULAR WEIGHT :
184.68
WISWESSER LINE NOTATION :
QR DG B1 EY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,338,1953
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931

 Safety Information

HS Code 2908199090

 Synthetic Route

~54%

5-Chlorcarvacrol Structure

5-Chlorcarvacrol

CAS#:5665-94-1

Literature: PARADIGM THERAPEUTICS LTD. Patent: WO2007/582 A1, 2007 ; Location in patent: Page/Page column 67-68 ; WO 2007/000582 A1

~%

5-Chlorcarvacrol Structure

5-Chlorcarvacrol

CAS#:5665-94-1

Literature: DE522062 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 2544

 Customs

HS Code 2908199090
Summary HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

 Synonyms

EINECS 227-122-9
MCIT
4-chloro-5-isopropyl-O-cresol
Chlorcarvacrol
Carvasept
4-Chlor-carvacrol
5-Chlorocarvacrol
CARVACROL,5-CHLORO
5-Chlor-2-hydroxy-p-cymol
4-Chlor-5-isopropyl-2-methyl-phenol
4-chloro-5-isopropyl-2-methyl-phenol
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