Allyl heptylate

Modify Date: 2024-01-02 17:21:27

Allyl heptylate Structure
Allyl heptylate structure
Common Name Allyl heptylate
CAS Number 142-19-8 Molecular Weight 170.249
Density 0.9±0.1 g/cm3 Boiling Point 214.0±9.0 °C at 760 mmHg
Molecular Formula C10H18O2 Melting Point -66 °C
MSDS Chinese USA Flash Point 82.2±0.0 °C
Symbol GHS06
GHS06
Signal Word Danger

 Use of Allyl heptylate


Allyl heptanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

Name Allyl heptanoate
Synonym More Synonyms

 Allyl heptylate Biological Activity

Description Allyl heptanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 214.0±9.0 °C at 760 mmHg
Melting Point -66 °C
Molecular Formula C10H18O2
Molecular Weight 170.249
Flash Point 82.2±0.0 °C
Exact Mass 170.130676
PSA 26.30000
LogP 3.65
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.432
Water Solubility INSOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1750000
CHEMICAL NAME :
Heptanoic acid, allyl ester
CAS REGISTRY NUMBER :
142-19-8
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H18-O2
MOLECULAR WEIGHT :
170.28
WISWESSER LINE NOTATION :
6VO2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,619,1977
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,619,1977 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,378,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
810 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,619,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
444 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
75600 mg/kg/18W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
15750 mg/kg/30W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5035 No. of Facilities: 581 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 2132 (estimated) No. of Female Employees: 276 (estimated)

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H302-H311-H315
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 R20/21/22
Safety Phrases S36/37
RIDADR UN 2810 6.1/PG 3
WGK Germany 3
RTECS MJ1750000
Packaging Group III
HS Code 2942000000

 Synthetic Route

~88%

Allyl heptylate Structure

Allyl heptylate

CAS#:142-19-8

Literature: Nakagawa, Hideto; Hirabayashi, Tomotaka; Sakaguchi, Satoshi; Ishii, Yasutaka Journal of Organic Chemistry, 2004 , vol. 69, # 10 p. 3474 - 3477

~68%

Allyl heptylate Structure

Allyl heptylate

CAS#:142-19-8

Literature: Michel, Dominique; Schlosser, Manfred Tetrahedron, 2000 , vol. 56, # 25 p. 4253 - 4260

~90%

Allyl heptylate Structure

Allyl heptylate

CAS#:142-19-8

Literature: Cao, Yu-Qing; Wu, Guo-Qiang; Li, Ya-Bin; Dai, Zhi; Chen, Bao-Hua Synthetic Communications, 2006 , vol. 36, # 22 p. 3353 - 3358

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Articles1

More Articles
Organoleptic Characteristics of Flavor Materials Michalski, J.

Perfum. Flavor. 38(10) , 60, (2013)

 Synonyms

prop-2-enyl heptanoate
ally heptanoate
Allyl-n-heptoate
FEMA 2031
MFCD00038341
Allyl heptanoate
Allyl heptylate
ALLYLHEPTAT
ALLYL HEPTOATE
heptanoic acid allyl ester
Heptanoic acid, 2-propenyl ester
EINECS 205-527-1
Heptanoic acid, 2-propen-1-yl ester
Allylheptanoat
Heptanoic acid, allyl ester
ALLYL ENANTHATE
prop-2-en-1-yl heptanoate
Allyl n-heptanoate
2-Propenyl heptanoate
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