Basic information
- CAS
629-70-9- Standard SMILES
CCCCCCCCCCCCCCCCOC(C)=O- InChIKey
LSTDYDRCKUBPDI-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Names & identifiers
- Preferred name
- Cetyl Acetate
- IUPAC
- hexadecyl acetate
- English name
- Palmityl acetate
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Hexadecyl acetatePalmityl acetate629-70-9Cetyl acetate1-Hexadecanol, acetate1-Acetoxyhexadecanen-Hexadecyl ethanoateHexadecanol acetateAcetic acid, hexadecyl esterENT 1025NSC 84921-Hexadecanol, 1-acetate
Show more names
ent1025Acelan AHexadecylethanoate1-HEXADECYL ACETATEhexadecanyl acetate
EINECS 211-103-7AI3-01025NSC-8492BRN 1782695DTXSID2052312PELEMOL CACHEBI:1461854Q43814HXS
Database identifiers
- CAS
629-70-9- PubChem CID
- 12393
- DTXSID
DTXSID2052312- ChEMBL
CHEMBL137354- ChEBI
CHEBI:146185- UNII
- 4Q43814HXS
- EC Number
- 211-103-7
- Nikkaji
- J45.696I
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Physical DescriptionLiquid; [Aldrich MSDS]
Kovats Retention Index
2009；2010；2010；1994；1996；1976；1991.1；1984；1997；1990
2006.9；2010；2009；2009；2009；2013；2008；2010；1995；2003；2009；2009；2009；2010；2013；2008；2006；2011；2004；2005
2294；2309；2312；2312
Physicochemical properties
- Melting point
- 24.2 °C · 24.2°C
- Boiling point
- 326.96 °C · 326.96°C (estimate)
- Density
- 0.8672 · 0.8672 (estimate)
- vapor pressure
- 0.005 Pa · 0.005Pa at 25℃
- refractive index
- 1.4439 · 1.4439 (estimate)
- FLAVIS Number
- 9.574 · 09.574 | Hexadec-1-yl acetate
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- solid
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (214 of 214) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 214 of 214 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 214 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 214 of 214 reports by companies.；There are 0 notifications provided by 0 of 214 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1-Hexadecanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Reg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17600
Cetyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryA mild skin irritant; [RTECS] May cause irritation; [Aldrich MSDS] See n-Amyl acetate.
EPA Safer ChemicalChemical: Cetyl acetate； Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and Categories
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: Cetyl Acetate
Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Household ProductsInformation on 19 consumer products that contain Cetyl acetate in the following categories is provided:；• Personal Care
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Emollient
General Manufacturing Information1-Hexadecanol, 1-acetate: ACTIVE
Applications
DescriptionPalmityl acetate is an ester compound with a waxy odour. Palmityl acetate, an acetate ester derived from hexadecan-1-ol (palmityl alcohol), is used as an emollient, masking agent and skin conditioner. It can also be used as a plasticizer or stabilizer in producing plastics and resins. It is a pheromone constituent present in various species of mouse, arachnid and insect. It has a cosmetic role, as well as a pheromone and an epitope.
UsesHexadecyl Acetate is a plant sex pheromone.
Upstream & downstream products
Downstream products
Suppliers32 total
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
2 records
Compound notes
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