Linalyl acetate

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Names

[ CAS No. ]:
115-95-7

[ Name ]:
Linalyl acetate

[Synonym ]:
(±)-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

Chemical & Physical Properties

[ 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

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

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

[ Symbol ]:

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

Myrcene
Linalool
Ethanoic anhydride
Isopropenyl acetate
3,7-dimethyloct-6-en-1-yn-3-yl acetate
1-(5,7-dinitro-2,3-dihydroindol-1-yl)ethanone
3-chloro-3,7-dimethylocta-1,6-diene
Potassium acetate
Geranyl bromide
(E)-(3,7-dimethylocta-2,6-dien-1-yl)trimethylsilane

DownStream

1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane
geranic oxide
myrcenol
alpha-Terpinene
(5E)-2,6-dimethylocta-5,7-dien-2-ol
γ-terpinene
(3,7-dimethyl-8-oxoocta-1,6-dien-3-yl) acetate
Linalool
Geraniol
(6R)-2,6-dimethylocta-2,7-diene-1,6-diol

Customs

[ 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%

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