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

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

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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Related Compounds

  • Homolinalyl acetate
  • (S)-linalyl acetate
  • (3R)-linalyl acetate
  • 8-oxo-linalyl acetate
  • PSEUDOLINALYL ACETATE
  • pseudo linalyl acetate
  • 3-(4,6-Dichloropyridin-2-yl)-3,3-difluoropropan-1-ol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-{1-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]piperidin-3-yl}acetic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine