UNII:DPY9K1927C

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Names

[ CAS No. ]:
106-21-8

[ Name ]:
UNII:DPY9K1927C

[Synonym ]:
MFCD00002936
3,7-Dimethyl-1-octanol
1-Octanol, 3,7-dimethyl-
UNII:DPY9K1927C
EINECS 203-374-5
3,7-dimethyloctan-1-ol

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
212.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C10H22O

[ Molecular Weight ]:
158.281

[ Flash Point ]:
95.0±0.0 °C

[ Exact Mass ]:
158.167068

[ PSA ]:
20.23000

[ LogP ]:
3.69

[ Vapour density ]:
5.4 (vs air)

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.433

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH0900000
CHEMICAL NAME :
1-Octanol, 3,7-dimethyl-
CAS REGISTRY NUMBER :
106-21-8
BEILSTEIN REFERENCE NO. :
1719638
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H22-O
MOLECULAR WEIGHT :
158.32
WISWESSER LINE NOTATION :
Q2Y1&3Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,517,1975 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,535,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,535,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0418 No. of Facilities: 82 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 3263 (estimated) No. of Female Employees: 82 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H411

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S23-S26-S36

[ RIDADR ]:
UN 3082 9 / PGIII

[ WGK Germany ]:
1

[ RTECS ]:
RH0900000

Synthetic Route

Precursor & DownStream

Precursor

  • Citral
  • citrol
  • Citronellol
  • Geraniol
  • Citronellal
  • methyl citronellate
  • 3,7-dimethylocta-2,6-dienoxymethylbenzene
  • 1-tert-butyldimethylsilyloxy-3,7-dimethyloctane

DownStream

  • 1-iodo-3,7-dimethyloctane
  • 3,7-dimethyloctyl 3,7-dimethyloctanoate
  • 6,10-dimethylundec-3-en-2-one
  • 4,6-dimethylnonanoic acid
  • S-3,7-Dimethyl-1-octanol
  • 1,2-bis(3,7-dimethyloctoxy)-4,5-dinitrobenzene
  • 3,7-dimethyloctyl propanoate
  • 3,7-dimethyloctan-1-ol,4-methylbenzenesulfonic acid

Articles

Odorant binding initially occurring at the central pocket in bovine odorant-binding protein.

Biochem. Biophys. Res. Commun. 333(4) , 1227-33, (2005)

Why bovine odorant-binding protein (OBPb), among OBP family, assumes a dimeric structure has been unclear. Here we clarified, by measuring the fluorescence of intrinsic tryptophan and tyrosine residue...

Fragrance material review on 3,7-dimethyl-1-octanol.

Food Chem. Toxicol. 46 Suppl 11 , S139-41, (2008)

A toxicologic and dermatologic review of 3,7-dimethyl-1-octanol when used as a fragrance ingredient is presented.

Microbial degradation of monoterpenes in the absence of molecular oxygen.

Appl. Environ. Microbiol. 61(11) , 3804-8, (1995)

Anaerobic degradation of natural monoterpenes by microorganisms was evaluated by using Pseudomonas citronellolis DSM 50332 and enrichment cultures containing nitrate as an electron acceptor. P. citron...


More Articles


Related Compounds

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  • N-(4-methoxyphenethyl)-4-(4-methyl-1,1-dioxido-3-oxoisothiazolidin-2-yl)benzenesulfonamide
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  • 2-Methyl-1-(piperidin-2-yl)propan-1-one
  • N-Hydroxy-4-nitro-3-(trifluoromethyl)benzimidamide
  • 6-Pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-amine