CAS 66-25-1|Hexanal

Introduction:Basic information about CAS 66-25-1|Hexanal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHexanal
CAS Number66-25-1Molecular Weight100.159
Density0.8±0.1 g/cm3Boiling Point127.9±3.0 °C at 760 mmHg
Molecular FormulaC6H12OMelting Point-56 °C
MSDSChineseUSAFlash Point26.2±6.0 °C
Symbol
GHS02, GHS07
Signal WordWarning

Names

Namehexanal
SynonymMore Synonyms

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point127.9±3.0 °C at 760 mmHg
Melting Point-56 °C
Molecular FormulaC6H12O
Molecular Weight100.159
Flash Point26.2±6.0 °C
Exact Mass100.088814
PSA17.07000
LogP1.97
Vapour density>1 (vs air)
Vapour Pressure10.9±0.2 mmHg at 25°C
Index of Refraction1.396
InChIKeyJARKCYVAAOWBJS-UHFFFAOYSA-N
SMILESCCCCCC=O
StabilityStable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents.
Water Solubility4.8 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MN7175000
CHEMICAL NAME :
Hexanal
CAS REGISTRY NUMBER :
66-25-1
BEILSTEIN REFERENCE NO. :
0506198
LAST UPDATED :
199712
DATA ITEMS CITED :
18
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
VH5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2000 ppm/4H
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 :
8292 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
3700 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 :
25200 mg/kg/3W-C
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33600 ug/kg/28D-C
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
3 mmol/L
REFERENCE :
MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 4,277,1989

Safety Information

Symbol
GHS02, GHS07
Signal WordWarning
Hazard StatementsH226-H319
Precautionary StatementsP305 + 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 PhrasesR10
Safety PhrasesS37/39-S26-S16
RIDADRUN 1207 3/PG 3
WGK Germany1
RTECSMN7175000
Packaging GroupIII
Hazard Class3
HS Code2912190090

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%

Articles65

More Articles
'Dopamine-first' mechanism enables the rational engineering of the norcoclaurine synthase aldehyde activity profile.

FEBS J. 282(6) , 1137-51, (2015)

Norcoclaurine synthase (NCS) (EC 4.2.1.78) catalyzes the Pictet-Spengler condensation of dopamine and an aldehyde, forming a substituted (S)-tetrahydroisoquinoline, a pharmaceutically important moiety...

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

HMDB: a knowledgebase for the human metabolome.

Nucleic Acids Res. 37(Database issue) , D603-10, (2009)

The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, ...

Synonyms

EINECS 200-624-5
Capronaldehyde
1-Hexanal
Caproic aldehyde
n-Caproaldehyde
n-Hexanal
Caproaldehyde
Hexaldehyde
Capronic Aldehyde
Hexanal
Hexanaldehyde
hexyl aldehyde
1-Hexylaldehyde
Aldehyde C-6
MFCD00007027
CAS 111-80-8|Methyl 2-nonynoate
CAS 409-02-9|filbert heptenone B
Recommended......
TOP