Heptan-1-ol
Names
[ CAS No. ]:
111-70-6
[ Name ]:
Heptan-1-ol
[Synonym ]:
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
Biological Activity
[Description]:
[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)
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
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%
Articles
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This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).J. Med. Chem. 48 , 3269-79, (2005)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...