CAS 111-71-7|Heptanal

Introduction：Basic information about CAS 111-71-7|Heptanal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles42
7. Synonyms

Common Name	Heptanal
CAS Number	111-71-7	Molecular Weight	114.186
Density	0.8±0.1 g/cm3	Boiling Point	150.4±3.0 °C at 760 mmHg
Molecular Formula	C₇H₁₄O	Melting Point	−43 °C(lit.)
MSDS	ChineseUSA	Flash Point	35.0±0.0 °C
Symbol	GHS02, GHS07	Signal Word	Warning

Names

Name	Heptaldehyde
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	150.4±3.0 °C at 760 mmHg
Melting Point	−43 °C(lit.)
Molecular Formula	C₇H₁₄O
Molecular Weight	114.186
Flash Point	35.0±0.0 °C
Exact Mass	114.104462
PSA	17.07000
LogP	2.50
Vapour Pressure	3.9±0.3 mmHg at 25°C
Index of Refraction	1.405
InChIKey	FXHGMKSSBGDXIY-UHFFFAOYSA-N
SMILES	CCCCCCC=O
Stability	Stable. May be light sensitive. Flammable - readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
Water Solubility	insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI6900000

CHEMICAL NAME :: Heptanal

CAS REGISTRY NUMBER :: 111-71-7

BEILSTEIN REFERENCE NO. :: 1560236

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C7-H14-O

MOLECULAR WEIGHT :: 114.21

WISWESSER LINE NOTATION :: VH6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534460 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >18400 mg/m3/4H

TOXIC EFFECTS :: Behavioral - excitement Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534501

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533620

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534465 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5 gm/kg/2W-I

TOXIC EFFECTS :: Behavioral - wakefulness

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534459 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83200 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 373 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83200 No. of Facilities: 1837 (estimated) No. of Industries: 33 No. of Occupations: 29 No. of Employees: 42935 (estimated) No. of Female Employees: 9290 (estimated)

Safety Information

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H315
Precautionary Statements	P403 + P235
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant;
Risk Phrases	R10;R38
Safety Phrases	S26-S36-S37-S16-S61-S60
RIDADR	UN 3056 3/PG 3
WGK Germany	1
RTECS	MI6900000
Packaging Group	III
Hazard Class	3
HS Code	2912190090

Customs

HS Code	2912190090
Summary	2912190090 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%

Articles42

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Chilling-related cell damage of apple (Malus × domestica Borkh.) fruit cortical tissue impacts antioxidant, lipid and phenolic metabolism.

Physiol. Plant. 153(2) , 204-20, (2015)

'Soggy breakdown' (SB) is an internal flesh disorder of 'Honeycrisp' apple (Malus × domestica Borkh.) fruit that occurs during low temperature storage. The disorder is a chilling injury (CI) in which ...

Comparison of Aroma-Active Volatiles in Oolong Tea Infusions Using GC-Olfactometry, GC-FPD, and GC-MS.

J. Agric. Food Chem. 63 , 7499-510, (2015)

The aroma profile of oolong tea infusions (Dongdingwulong, DDWL; Tieguanyin, TGY; Dahongpao, DHP) were investigated in this study. Gas chromatography-olfactometry (GC-O) with the method of aroma inten...

Synonyms

Heptanal

heptylaldehyde

FEMA 2540

ENANTHAL

FEMA 2541

FEMA 2542

Enanthole

Oenanthal

enantaldehyde

n-heptanal

Heptaldehyde

4-01-00-03314 (Beilstein Handbook Reference)

Heptyl Aldehyde

1-Heptanal,Aldehyde C7,Enanthaldehyde

EINECS 203-898-4

1-Heptanal

Oenanthol

Enanthaldehyde

MFCD00007028

n-Heptaldehyde

enanthic aldehyde

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