CAS 5392-40-5|Citral

Introduction:Basic information about CAS 5392-40-5|Citral, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCitral
CAS Number5392-40-5Molecular Weight152.233
Density0.9±0.1 g/cm3Boiling Point229.0±9.0 °C at 760 mmHg
Molecular FormulaC10H16OMelting Point< -10ºC
MSDSChineseUSAFlash Point101.7±0.0 °C
Symbol
GHS07
Signal WordWarning

Names

Namecitral
SynonymMore Synonyms

Citral BiologicalActivity

DescriptionCitral is a monoterpene found in Cymbopogon citratus essential oil, with antihyperalgesic, anti-nociceptive and anti-inflammatory effects[1].
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
References

[1]. Campos CA, et al. Anti-hyperalgesic and anti-inflammatory effects of citral with β-cyclodextrin and hydroxypropyl-β-cyclodextrin inclusion complexes in animal models. Life Sci. 2019 Jul 15;229:139-148.

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point229.0±9.0 °C at 760 mmHg
Melting Point< -10ºC
Molecular FormulaC10H16O
Molecular Weight152.233
Flash Point101.7±0.0 °C
Exact Mass152.120117
PSA17.07000
LogP3.17
Vapour density5 (vs air)
Vapour Pressure0.1±0.5 mmHg at 25°C
Index of Refraction1.457
InChIKeyWTEVQBCEXWBHNA-JXMROGBWSA-N
SMILESCC(C)=CCCC(C)=CC=O
Storage condition2-8°C
StabilityStable. but readily isomerizes. Incompatible with alkalies, strong oxidizing agents, strong acids. Combustible. Air and light sensitive.
Water SolubilityPRACTICALLY INSOLUBLE

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5075000
CHEMICAL NAME :
2,6-Octadienal, 3,7-dimethyl-
CAS REGISTRY NUMBER :
5392-40-5
BEILSTEIN REFERENCE NO. :
1721871
LAST UPDATED :
199801
DATA ITEMS CITED :
30
MOLECULAR FORMULA :
C10-H16-O
MOLECULAR WEIGHT :
152.26
WISWESSER LINE NOTATION :
VH1UY1&3Y1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human - man
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - pig
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4960 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 gm/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 gm/kg/10D-I
TOXIC EFFECTS :
Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Effect on specific coenzyme - CoA
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14952 mg/kg/14D-I
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1250 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - sex ratio
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
DOSE :
28 gm/kg
SEX/DURATION :
female 60 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - oogenesis Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
DOSE :
46 gm/kg
SEX/DURATION :
female 14 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
DOSE :
46 gm/kg
SEX/DURATION :
female 14 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Fertility - other measures of fertility Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
DOSE :
27600 mg/kg
SEX/DURATION :
female 60 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1800 mg/kg
SEX/DURATION :
female 22 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - oogenesis Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1800 mg/kg
SEX/DURATION :
female 6 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Effects on Newborn - live birth index (measured after birth)

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
2222 ug/disc
REFERENCE :
OIGZDE Osaka-shi Igakkai Zasshi. Journal of Osaka City Medical Association. (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho, Abeno-ku, Osaka, 545, Japan) V.24- 1975- Volume(issue)/page/year: 34,267,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83184 No. of Facilities: 353 (estimated) No. of Industries: 5 No. of Occupations: 33 No. of Employees: 68051 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83184 No. of Facilities: 12505 (estimated) No. of Industries: 98 No. of Occupations: 84 No. of Employees: 200484 (estimated) No. of Female Employees: 83180 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H317-H319
Precautionary StatementsP280-P305 + P351 + P338
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXi:Irritant;
Risk PhrasesR38;R43
Safety PhrasesS24/25-S37
RIDADR1760
WGK Germany1
RTECSRG5075000
Packaging GroupIII
Hazard Class8
HS Code2932999099

Customs

HS Code2912190090
Summary2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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Synonyms

Lemsyn GB
3,7-Dimethyl-1,2,6-octadienal
3,7-Dimethyl-2,6-octadienal,Geranial and neral mixture
LEMAROME
2,6-octadienal, 3,7-dimethyl-
(2E)-3,7-Dimethyl-2,6-octadienal
NERAL
gerznial
lemsyngb
3,7-Dimethylocta-2,6-dienal
3,7-dimethyl-2,6-octadien-1-al
3,7-Dimethyl-2,6-octadienal
LEMSYN
GERANIAL
3,7-dimethyl-trans-2,6-octadienal
2,6-Octadienal, 3,7-dimethyl-, (2E)-
MFCD00006997
Citral
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