hexadecan-1-ol

CAS No. 36653-82-4

Formula: C16H34O
Basic Info

1-Hexadecanol, is used in the cosmetic industry as an opacifier in shampoos, or as an emollient, emulsifier or thickening agent in the manufacture of skin creams and lotions.

Formula
C16H34O
Molecular Weight
242.441
Exact Mass
242.261
LogP
5.46
PSA
20.23
Synonyms

Palmityl acrylate

hexadecanylacrylate

Heptaldehyde,stabilized

n-hexadecyl alcohol

n-hexdecan-1-ol

Pamityl acrylate

Acrylic acid,hexadecyl ester

Hexadecylacrylat

hexadecyl alcohol

n-hexadecyl acrylate

Cetyl Alcohol

palmityl alcohol

2-Propenoic acid,hexadecyl ester

cetyle alcohol

Hexadecyl acrylate

1-Hexadecanol

Cetyl alcohol,Palmityl alcohol

Acrylsaeure-hexadecylester

Cetyl acrylate

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Properties
Appearance & Physical State
white solid
Density
0.818 g/mL at 25 °C(lit.)
Boiling Point
344 °C
Melting Point
49-51 °C
Flash Point
275 °F
Water Solubility
insoluble
Stability
Stable. Incompatible with strong oxidizing agents, strong acids.
Storage Condition
2-8°C
Vapor Density
8.34 (vs air)
Vapor Pressure
<0.01 mm Hg ( 43 °C)
Safety Info
RTECS
MM0225000
Safety Statements
S22; S24/25; S37
WGK Germany
-
Risk Statements
R38; R36/37/38
HS Code
2905170000
Hazard Codes
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name hexadecan-1-ol

1.2 Other means of identification

Product number -
Other names 1-Hexadecanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
hexadecan-1-ol hexadecan-1-ol 36653-82-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Basic Treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Higher alcohols (>3 carbons) and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire, use foam, carbon dioxide, dry chemical.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

AEROBIC: In a 5-day incubation study using an activated sludge seed from a municipal sewage treatment plant, 28.0% of initial 1-hexadecanol was mineralized (CO2 measurement)(1). A theoretical BOD of 0% was observed using the AFNOR (the French norm procedure) screening test and a 5-day incubation period(2). In standard 5-day BOD tests using emulsified 1-hexadecanol, 30-60% of initial 1-hexadecanol was oxidized(3). In studies designed to examine the biodegradability of 1-hexadecanol in thin films (monolayer) on water surfaces, it was found that biological destruction of the monolayer resulted in measurable consumption of the material with all substrates that were tested; substrates included 2% settled domestic sewage in BOD dilution water, 50% Ohio River water + 50% BOD dilution water, water from a stock pond near San Antonio, TX, and other combinations of BOD dilution water and mineral supplements; oxidation rates varied with substrates; oxidation rates varied from 6.2 to 14.3% over incubation periods of 20 to 48 days(3). In Warburg respirometer tests using activated sludge and 500 mg/L of 1-hexadecanol (well above its aqueous solubility), the theoretical oxygen demand was only 0.4% after a 12-hr incubation period(4). In static culture tests examining the disappearance of 1-hexadecanol in seeded media as compared to unseeded control media over a 10-day incubation period, almost none disappeared from the control media while nearly 20% disappeared from the seeded media; in shake flask tests using seeded media and a fine granular form of 1-hexadecanol, the initial 1-hexadecanol concn of 100 mg/L decreased to only 0.25 mg/L after 30 days of incubation; the overall results of the study concluded that given sufficient time in contact with adapted microbial species under conditions otherwise non-limiting, the complete disappearance of 1-hexadecanol as an identifiable molecular species will occur; one limiting condition is the relative insolubility of 1-hexadecanol in water; it was found that microbial growth occurs more rapidly when the 1-hexadecanol substrate is added in dissolved form (eg hexane solution)(5).

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

In general, materials which are toxic as stored or which can decompose into toxic components ... should be stored in a cool, well-ventilated place, out of direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected ... incompatible materials should be isolated from each other.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state white solid
Colour FLAKES FROM ETHYL ACETATE
Odour Faint odor
Melting point/ freezing point -80°C(lit.)
Boiling point or initial boiling point and boiling range 190°C/15mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 170°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 53 mPa-s (=cP) at 75°C
Solubility In water:insoluble
Partition coefficient n-octanol/water (log value) log Kow = 6.83 (est)
Vapour pressure <0.01 mm Hg ( 43 °C)
Density and/or relative density 0.818 g/mL at 25 °C(lit.)
Relative vapour density 8.34 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Flammable when exposed to heat or flame

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 5 g/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: EC50 Scenedesmus subspicatus (Algae) 676 mg/L/72 hr; Effect: cell multiplication inhibition test
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a 5-day incubation study using an activated sludge seed from a municipal sewage treatment plant, 28.0% of initial 1-hexadecanol was mineralized (CO2 measurement)(1). A theoretical BOD of 0% was observed using the AFNOR (the French norm procedure) screening test and a 5-day incubation period(2). In standard 5-day BOD tests using emulsified 1-hexadecanol, 30-60% of initial 1-hexadecanol was oxidized(3). In studies designed to examine the biodegradability of 1-hexadecanol in thin films (monolayer) on water surfaces, it was found that biological destruction of the monolayer resulted in measurable consumption of the material with all substrates that were tested; substrates included 2% settled domestic sewage in BOD dilution water, 50% Ohio River water + 50% BOD dilution water, water from a stock pond near San Antonio, TX, and other combinations of BOD dilution water and mineral supplements; oxidation rates varied with substrates; oxidation rates varied from 6.2 to 14.3% over incubation periods of 20 to 48 days(3). In Warburg respirometer tests using activated sludge and 500 mg/L of 1-hexadecanol (well above its aqueous solubility), the theoretical oxygen demand was only 0.4% after a 12-hr incubation period(4). In static culture tests examining the disappearance of 1-hexadecanol in seeded media as compared to unseeded control media over a 10-day incubation period, almost none disappeared from the control media while nearly 20% disappeared from the seeded media; in shake flask tests using seeded media and a fine granular form of 1-hexadecanol, the initial 1-hexadecanol concn of 100 mg/L decreased to only 0.25 mg/L after 30 days of incubation; the overall results of the study concluded that given sufficient time in contact with adapted microbial species under conditions otherwise non-limiting, the complete disappearance of 1-hexadecanol as an identifiable molecular species will occur; one limiting condition is the relative insolubility of 1-hexadecanol in water; it was found that microbial growth occurs more rapidly when the 1-hexadecanol substrate is added in dissolved form (eg hexane solution)(5).

12.3 Bioaccumulative potential

In a 3-day static exposure study using golden orfe fish (Leuciscus idus melanotus), a 1-hexadecanol bioconcentration factor (BCF) of 56 was observed(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC), provided the compound is not metabolized by the organism(SRC). A 24-hr BCF of 17000 was observed in algae (Chlorella fusca)(1).

12.4 Mobility in soil

The Koc of 1-hexadecanol is estimated as 25,000(SRC), using a water solubility of 4.122X10-2(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-hexadecanol is expected to be immobile in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
hexadecan-1-ol hexadecan-1-ol 36653-82-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: 1-Hexadecanol 90% (gc) Material Safety Data Sheet
Synonym: Cetyl alcohol; Hexadecan-1ol; Hexadecyl alcohol; Palmityl alcoho
CAS: 36653-82-4
Section 1 - Chemical Product   MSDS Name:1-Hexadecanol 90% (gc) Material Safety Data Sheet
Synonym:Cetyl alcohol; Hexadecan-1ol; Hexadecyl alcohol; Palmityl alcoho

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
36653-82-4 1-Hexadecanol 90 253-149-0
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes irritation of mucous membrane. Causes upper respiratory tract irritation.
Chronic:
Prolonged or repeated skin contact may cause dermatitis.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use dry chemical, carbon dioxide, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep away from heat, sparks, and flame. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 36653-82-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white
Odor: faint odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 334 deg C @ 15.00mm
Freezing/Melting Point: 49.3 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 0.8120 @ 50C/4C
Molecular Formula: C16H34O
Molecular Weight: 242.45

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 36653-82-4: MM0225000 LD50/LC50:
CAS# 36653-82-4: Draize test, rabbit, eye: 82 mg Mild; Draize test, rabbit, skin: 2600 mg/24H Mild; Draize test, rabbit, skin: 100 mg/24H Severe; Oral, mouse: LD50 = 3200 mg/kg; Oral, rat: LD50 = 5 gm/kg; Skin, rabbit: LD50 = >2600 mg/kg.
Carcinogenicity:
1-Hexadecanol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 36653-82-4: 0
Canada
CAS# 36653-82-4 is listed on Canada's DSL List.
CAS# 36653-82-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 36653-82-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 13C NMR : in CDCl3
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,powder
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Synthesis Route

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