Linalyl acetate

Modify Date: 2026-07-02 16:25:41

Linalyl acetate Structure
Linalyl acetate structure
Common Name Linalyl acetate
CAS Number 115-95-7 Molecular Weight 196.286
Density 0.9±0.1 g/cm3 Boiling Point 220.0±0.0 °C at 760 mmHg
Molecular Formula C12H20O2 Melting Point 85°C
MSDS Chinese USA Flash Point 90.0±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Linalyl acetate


Linalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name (R)-linalyl acetate
Synonym More Synonyms

 Linalyl acetate Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Linalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1].
Related Catalog
References

[1]. A.T. Peana, et al. Anti-inflammatory activity of linalool and linalyl acetate constituents of essential oils,Phytomedicine. 2002 Dec;9(8):721-6.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.9±0.1 g/cm3
Boiling Point 220.0±0.0 °C at 760 mmHg
Melting Point 85°C
Molecular Formula C12H20O2
Molecular Weight 196.286
Flash Point 90.0±0.0 °C
Exact Mass 196.146332
PSA 26.30000
LogP 3.83
Vapour density 6.8 (vs air)
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.452
InChIKey UWKAYLJWKGQEPM-UHFFFAOYSA-N
SMILES C=CC(C)(CCC=C(C)C)OC(C)=O
Storage condition 2-8°C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5910000
CHEMICAL NAME :
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
CAS REGISTRY NUMBER :
115-95-7
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H20-O2
MOLECULAR WEIGHT :
196.32
WISWESSER LINE NOTATION :
1Y&U3Y1U1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13934 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 gm/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (5),41,1994 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82998 No. of Facilities: 99 (estimated) No. of Industries: 2 No. of Occupations: 20 No. of Employees: 22921 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82998 No. of Facilities: 11043 (estimated) No. of Industries: 59 No. of Occupations: 83 No. of Employees: 155492 (estimated) No. of Female Employees: 85069 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R38
Safety Phrases S26-S36-S37
RIDADR NA 1993 / PGIII
WGK Germany 1
RTECS RG5910000
HS Code 2915390090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2915390090
Summary 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

 Articles30

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Role of D-Limonene in autophagy induced by bergamot essential oil in SH-SY5Y neuroblastoma cells.

PLoS ONE 9(11) , e113682, (2014)

Bergamot (Citrus bergamia, Risso et Poiteau) essential oil (BEO) is a well characterized, widely used plant extract. BEO exerts anxiolytic, analgesic and neuroprotective activities in rodents through ...

Fumigant toxicity and acetylcholinesterase inhibitory activity of 4 Asteraceae plant essential oils and their constituents against Japanese termite (Reticulitermes speratus Kolbe).

Pestic. Biochem. Physiol. 113 , 55-61, (2014)

This study investigated the fumigant toxicity of 4 Asteraceae plant essential oils and their constituents against the Japanese termite Reticulitermes speratus Kolbe. Fumigant toxicity varied with plan...

Vine-shoot waste aqueous extracts for re-use in agriculture obtained by different extraction techniques: phenolic, volatile, and mineral compounds.

J. Agric. Food Chem. 62(45) , 10861-72, (2014)

Vine-shoots are an important waste in all viticulture areas that should be re-used with innovative applications. The aim of this work was to produce Airén waste vine-shoot aqueous extracts by four sol...

 Linalyl acetateBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059805
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059806
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059807
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059808
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059809
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059810
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059811
Name: Insecticidal activity against third-instar larval stage of Leptinotarsa decemlineata ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3059852
Name: Insecticidal activity against adult Leptinotarsa decemlineata infested potato leaves ...
Source: ChEMBL
Target: Leptinotarsa decemlineata
External Id: CHEMBL3058074
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(±)-linalyl acetate
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
(±)-1,5-dimethyl-1-vinylhex-4-enyl acetate
1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
3,7-Dimethyl-1,6-octadien-3-yl acetate
3,7-dimethylocta-1,6-dien-3-yl acetate
EINECS 204-116-4
MFCD00008907
Linalyl acetate,synthetic
1,5-Dimethyl-1-ethenylhex-4-enyl acetate
Linalyl acetate

 Linalyl acetate | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of (R)-linalyl acetate?
A: SMILES notation of (R)-linalyl acetate is C=CC(C)(CCC=C(C)C)OC(C)=O.
Q: What is the CAS number of (R)-linalyl acetate?
A: CAS number of (R)-linalyl acetate is 115-95-7.
Q: What is the safety information for (R)-linalyl acetate?
A: Safety information for (R)-linalyl acetate: S26-S36-S37.
Q: What is the melting point of (R)-linalyl acetate?
A: Melting point of (R)-linalyl acetate is 85°C.
Q: What is the molecular weight of (R)-linalyl acetate?
A: Molecular weight of (R)-linalyl acetate is 196.286.
Q: What are the downstream products of (R)-linalyl acetate?
A: Related downstream products(CAS) of (R)-linalyl acetate: 470-67-7;7392-19-0;543-39-5;99-86-5;5986-38-9;99-85-4;23959-82-2;78-70-6;106-24-1;61434-50-2.
Q: What is the InChIKey of (R)-linalyl acetate?
A: InChIKey of (R)-linalyl acetate is UWKAYLJWKGQEPM-UHFFFAOYSA-N.
Q: What is the English name of (R)-linalyl acetate?
A: The English name of (R)-linalyl acetate is (R)-linalyl acetate.
Q: What are the storage conditions for (R)-linalyl acetate?
A: Storage conditions for (R)-linalyl acetate: 2-8°C.
Q: What is the molecular formula of (R)-linalyl acetate?
A: Molecular formula of (R)-linalyl acetate is C12H20O2.

 Linalyl acetatefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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