CAS 18829-55-5|Heptenal

Introduction：Basic information about CAS 18829-55-5|Heptenal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Heptenal BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles10
7. Synonyms

Common Name	Heptenal
CAS Number	18829-55-5	Molecular Weight	112.170
Density	0.8±0.1 g/cm3	Boiling Point	166.0±0.0 °C at 760 mmHg
Molecular Formula	C₇H₁₂O	Melting Point	/
MSDS	ChineseUSA	Flash Point	53.3±0.0 °C
Symbol	GHS02, GHS06	Signal Word	Danger

Names

Name	trans-2-Heptenal
Synonym	More Synonyms

Heptenal BiologicalActivity

Description	trans-2-Heptenal is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog	Research Areas >>Others

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	166.0±0.0 °C at 760 mmHg
Molecular Formula	C₇H₁₂O
Molecular Weight	112.170
Flash Point	53.3±0.0 °C
Exact Mass	112.088814
PSA	17.07000
LogP	2.11
Vapour density	>1 (vs air)
Vapour Pressure	1.8±0.3 mmHg at 25°C
Index of Refraction	1.428
InChIKey	NDFKTBCGKNOHPJ-AATRIKPKSA-N
SMILES	CCCCC=CC=O
Storage condition	Refrigerator (+4°C) + Flammables area

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ8795000

CHEMICAL NAME :: 2-Heptenal, (E)-

CAS REGISTRY NUMBER :: 18829-55-5

BEILSTEIN REFERENCE NO. :: 1700822

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H12-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1300 mg/kg

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

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,331,1988

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 860 mg/kg

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

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,331,1988

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1530 mg/kg

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

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,331,1988

Safety Information

Symbol	GHS02, GHS06
Signal Word	Danger
Hazard Statements	H226-H302-H311-H317-H332
Precautionary Statements	P280-P312
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R10;R20/21;R43
Safety Phrases	S16-S36/37
RIDADR	UN 1988 3/PG 3
WGK Germany	3
RTECS	MJ8795000
Packaging Group	III
Hazard Class	3.2

Articles10

Volatile Compounds from Grape Skin, Juice and Wine from Five Interspecific Hybrid Grape Cultivars Grown in Québec (Canada) for Wine Production.

Molecules 20 , 10980-1016, (2015)

Developed from crosses between Vitis vinifera and North American Vitis species, interspecific hybrid grape varieties are becoming economically significant in northern areas, where they are now extensi...

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...

Studies on the reaction of trans-2-heptenal with peanut proteins.

J. Agric. Food Chem. 62(33) , 8500-7, (2014)

Hexanal, 2-heptenal, and nonanal were identified as relevant reaction products formed in the course of the lipid peroxidation of heated peanut oil. For the identification of potential amino acid side ...

Synonyms

(2E)-Hept-2-enal

(2E)-2-Heptenal

2-Heptenal, (2E)-

2-trans-heptenal

trans-hept-2-en-1-al

(E)-Hept-2-enal

MFCD00007010

EINECS 242-608-0

2-Hepten-1-al

Heptenal

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