UNII:2ADP7IT9Y3

Modify Date: 2025-08-23 01:08:46

UNII:2ADP7IT9Y3 Structure
UNII:2ADP7IT9Y3 structure
Common Name UNII:2ADP7IT9Y3
CAS Number 126-64-7 Molecular Weight 258.355
Density 1.0±0.1 g/cm3 Boiling Point 349.2±21.0 °C at 760 mmHg
Molecular Formula C17H22O2 Melting Point N/A
MSDS Chinese USA Flash Point 158.7±8.2 °C

 Names

Name 3,7-dimethylocta-1,6-dien-3-yl benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 349.2±21.0 °C at 760 mmHg
Molecular Formula C17H22O2
Molecular Weight 258.355
Flash Point 158.7±8.2 °C
Exact Mass 258.161987
PSA 26.30000
LogP 6.14
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.512

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH3300000
CHEMICAL NAME :
Benzoic acid, linalyl ester
CAS REGISTRY NUMBER :
126-64-7
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C17-H22-O2
MOLECULAR WEIGHT :
258.39
WISWESSER LINE NOTATION :
1Y1&U3X1&1U1&OVR

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: 14,461,1976 ** 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: 14,461,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
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: 14,461,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6902 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS DH3300000
HS Code 2916310090

 Synthetic Route

~60%

UNII:2ADP7IT9Y3 Structure

UNII:2ADP7IT9Y3

CAS#:126-64-7

Literature: Yuasa, Yoshifumi; Kato, Yasushi Journal of Agricultural and Food Chemistry, 2003 , vol. 51, # 14 p. 4036 - 4039

~%

UNII:2ADP7IT9Y3 Structure

UNII:2ADP7IT9Y3

CAS#:126-64-7

Literature: Chemische Berichte, , vol. 64, p. 240,247, 2636, 2642

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 Articles2

More Articles
Fragrance material review on linalyl cinnamate.

Food Chem. Toxicol. 41(7) , 989-93, (2003)

A toxicologic and dermatologic review of linalyl cinnamate when used as a fragrance ingredient is presented.

Fragrance material review on linalyl benzoate.

Food Chem. Toxicol. 41(7) , 977-81, (2003)

A toxicologic and dermatologic review of linalyl benzoate when used as a fragrance ingredient is presented.

 Synonyms

3,7-Dimethyl-1,6-octadien-3-yl benzoate
3,7-Dimethylocta-1,6-dien-3-yl benzoate
Benzoic acid linalool ester
UNII:2ADP7IT9Y3
benzoic acid-linalyl ester
1,6-Octadien-3-ol,3,7-dimethyl-,benzoate
1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate
FEMA No. 2638
EINECS 204-796-2
Linalol benzoate
Linalyl benzoate
Benzoesaeure-linalylester
1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate
MFCD00048302
Linalool benzoate
Linalool,benzoate
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