Heptan-1-ol

Modify Date: 2024-01-02 11:37:07

Heptan-1-ol Structure
Heptan-1-ol structure
Common Name Heptan-1-ol
CAS Number 111-70-6 Molecular Weight 116.201
Density 0.8±0.1 g/cm3 Boiling Point 176.9±3.0 °C at 760 mmHg
Molecular Formula C7H16O Melting Point −36 °C(lit.)
MSDS Chinese USA Flash Point 73.9±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Heptan-1-ol


1-Heptanol is used in the fragrance industry for its pleasant smell.

 Names

Name Heptan-1-ol
Synonym More Synonyms

 Heptan-1-ol Biological Activity

Description 1-Heptanol is used in the fragrance industry for its pleasant smell.
Related Catalog

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 176.9±3.0 °C at 760 mmHg
Melting Point −36 °C(lit.)
Molecular Formula C7H16O
Molecular Weight 116.201
Flash Point 73.9±0.0 °C
Exact Mass 116.120117
PSA 20.23000
LogP 2.47
Vapour Pressure 0.3±0.7 mmHg at 25°C
Index of Refraction 1.422
Stability Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
Water Solubility 2.85 g/L (100 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MK0350000
CHEMICAL NAME :
Heptyl alcohol
CAS REGISTRY NUMBER :
111-70-6
BEILSTEIN REFERENCE NO. :
1731686
LAST UPDATED :
199803
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C7-H16-O
MOLECULAR WEIGHT :
116.23
WISWESSER LINE NOTATION :
Q7

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 :
500 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6600 mg/m3/2H
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 - rabbit
DOSE/DURATION :
750 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
6600 mg/m3
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 :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
4350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/m3/24/19W-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Cardiac - other changes Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
9100 mg/kg/26W-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,135,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83568 No. of Facilities: 44 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 1105 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83568 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 17 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H319
Precautionary Statements P305 + P351 + P338
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;R36
Safety Phrases S36-S36/37/39-S26
RIDADR 2810
WGK Germany 1
RTECS MK0350000
Packaging Group III
Hazard Class 6.1(b)
HS Code 29051900

 Synthetic Route

 Customs

HS Code 2905199090
Summary 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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 Synonyms

Gentanol
n-Heptanol
1-Hydroxyheptane
1-Heptanol
Heptyl Alcohol
1-Heptanol,Heptyl alcohol
Enanthic alcohol
EINECS 203-897-9
heptanol
n-Heptyl alcohol
1-heptyl alcohol
n-Heptan-1-ol
MFCD00002986
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